data_CSD_CIF_MOLDRAW
_audit_creation_date 2019-12-11
_audit_creation_method MOLDRAW
_chemical_formula_sum 'H70 C50 N10 O10'
_chemical_formula_moiety
;
H70 C50 N10 O10
;
loop_
_publ_author_name
Ugliengo
_cell_volume 1376.7336
_exptl_crystal_density_diffrn ?
_diffrn_ambient_temperature ?
_refine_ls_R_factor_gt ?
_refine_ls_wR_factor_gt ?
_symmetry_space_group_name_H-M 'P 21'
_symmetry_cell_setting monoclinic
_symmetry_Int_Tables_number 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
_cell_length_a  9.1201967
_cell_length_b  18.8687876
_cell_length_c  9.2524265
_cell_angle_alpha  90
_cell_angle_beta  59.844062
_cell_angle_gamma  90
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
H  .38
C  .77
N  .75
O  .73
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
H1   H     0.971406974866   0.259905513028   0.693535664788   
H2   H     0.028593025134   0.759905513028   0.306464335212   
H3   H     0.772167618004   0.074033404491   0.397430669161   
H4   H     0.227832381996   0.574033404491   0.602569330839   
H5   H     0.374982232368   0.163887661369   0.905306099853   
H6   H     0.625017767632   0.663887661369   0.094693900147   
H7   H     0.773290617753   0.965946080398   0.873041429771   
H8   H     0.226709382247   0.465946080398   0.126958570229   
H9   H     0.917539722620   0.404595176190   0.105414991903   
H10   H     0.082460277380   0.904595176190   0.894585008097   
H11   H     0.122519902835   0.204923174777   0.925280285819   
H12   H     0.877480097166   0.704923174777   0.074719714181   
H13   H     0.897203629740   0.008598913592   0.026203950309   
H14   H     0.102796370260   0.508598913592   0.973796049691   
H15   H     0.947577161166   0.305558321800   0.940514363220   
H16   H     0.052422838834   0.805558321800   0.059485636780   
H17   H     0.987479458577   0.107343171152   0.126924026648   
H18   H     0.012520541423   0.607343171152   0.873075973352   
H19   H     0.634742665884   0.361748442447   0.266733475113   
H20   H     0.365257334117   0.861748442447   0.733266524887   
H21   H     0.127720709102   0.453081167012   0.565592337524   
H22   H     0.872279290898   0.953081167012   0.434407662476   
H23   H     0.692026959242   0.274963271823   0.415951659096   
H24   H     0.307973040758   0.774963271823   0.584048340905   
H25   H     0.550330814897   0.559286911409   0.239196790490   
H26   H     0.449669185103   0.059286911409   0.760803209510   
H27   H     0.404528170856   0.364527119512   0.973343793601   
H28   H     0.595471829144   0.864527119512   0.026656206399   
H29   H     0.832237630672   0.163827716799   0.747935970354   
H30   H     0.167762369328   0.663827716799   0.252064029647   
H31   H     0.947353733101   0.409931924074   0.581604579154   
H32   H     0.052646266899   0.909931924074   0.418395420846   
H33   H     0.765936861033   0.215426429796   0.513353684705   
H34   H     0.234063138967   0.715426429796   0.486646315295   
H35   H     0.523983838780   0.500475982970   0.400700032765   
H36   H     0.476016161220   0.000475982970   0.599299967235   
H37   H     0.522495920434   0.307160825095   0.801865462933   
H38   H     0.477504079566   0.807160825095   0.198134537067   
H39   H     0.653669820413   0.109112732517   0.869718487965   
H40   H     0.346330179587   0.609112732517   0.130281512035   
H41   H     0.292610890689   0.347630720565   0.482611053373   
H42   H     0.707389109311   0.847630720565   0.517388946627   
H43   H     0.536966504477   0.182971312572   0.367400212359   
H44   H     0.463033495523   0.682971312572   0.632599787642   
H45   H     0.534306510946   0.464661622992   0.072830975114   
H46   H     0.465693489054   0.964661622992   0.927169024886   
H47   H     0.331301915998   0.271239141724   0.174144409491   
H48   H     0.668698084002   0.771239141724   0.825855590509   
H49   H     0.002684441182   0.065686456927   0.582478864732   
H50   H     0.997315558818   0.565686456927   0.417521135268   
H51   H     0.144292994718   0.318430245148   0.423524639506   
H52   H     0.855707005282   0.818430245148   0.576475360495   
H53   H     0.396652968731   0.428458934010   0.274092821553   
H54   H     0.603347031269   0.928458934010   0.725907178448   
H55   H     0.524854647447   0.234415807769   0.017790672796   
H56   H     0.475145352553   0.734415807769   0.982209327204   
H57   H     0.801682042688   0.032497067261   0.629992449519   
H58   H     0.198317957312   0.532497067261   0.370007550482   
H59   H     0.177912948288   0.240469918370   0.655073757658   
H60   H     0.822087051712   0.740469918370   0.344926242342   
H61   H     0.659764621638   0.061820599299   0.289195769719   
H62   H     0.340235378363   0.561820599299   0.710804230281   
H63   H     0.666439148545   0.348139112170   0.063882915749   
H64   H     0.333560851455   0.848139112170   0.936117084251   
H65   H     0.240036618317   0.154779901616   0.123821144437   
H66   H     0.759963381683   0.654779901616   0.876178855564   
H67   H     0.988211287321   0.951438109311   0.721668867984   
H68   H     0.011788712679   0.451438109311   0.278331132016   
H69   H     0.513534325544   0.150098351711   0.556560435371   
H70   H     0.486465674456   0.650098351711   0.443439564629   
C1   C     0.825253500474   0.432249431222   0.083166913915   
C2   C     0.174746499526   0.932249431222   0.916833086085   
C3   C     0.161900121931   0.235248946236   0.000619743966   
C4   C     0.838099878069   0.735248946236   0.999380256034   
C5   C     0.941193358298   0.035860750342   0.907027474233   
C6   C     0.058806641702   0.535860750342   0.092972525767   
C7   C     0.046369151970   0.330707991921   0.826592851184   
C8   C     0.953630848030   0.830707991921   0.173407148816   
C9   C     0.871693792855   0.138999772062   0.175553234863   
C10   C     0.128306207145   0.638999772062   0.824446765137   
C11   C     0.897946009521   0.448594209353   0.895321973060   
C12   C     0.102053990479   0.948594209353   0.104678026940   
C13   C     0.008965034404   0.255294355437   0.172818961349   
C14   C     0.991034965596   0.755294355437   0.827181038651   
C15   C     0.134223231071   0.050713204031   0.817163377813   
C16   C     0.865776768929   0.550713204031   0.182836622187   
C17   C     0.204918895546   0.348562617316   0.839983502275   
C18   C     0.795081104454   0.848562617316   0.160016497725   
C19   C     0.823175327310   0.154449724742   0.040957291541   
C20   C     0.176824672690   0.654449724742   0.959042708459   
C21   C     0.407790100440   0.310959806793   0.926051137725   
C22   C     0.592209899560   0.810959806793   0.073948862275   
C23   C     0.580925883740   0.506300068311   0.264617399050   
C24   C     0.419074116260   0.006300068311   0.735382600950   
C25   C     0.734518274978   0.220431354375   0.413298478688   
C26   C     0.265481725022   0.720431354375   0.586701521312   
C27   C     0.052101008470   0.404449318619   0.607216890050   
C28   C     0.947898991530   0.904449318619   0.392783109951   
C29   C     0.877423418218   0.049947521379   0.684939911660   
C30   C     0.122576581782   0.549947521379   0.315060088340   
C31   C     0.399342862675   0.252052710192   0.044795251331   
C32   C     0.600657137325   0.752052710192   0.955204748669   
C33   C     0.526226219588   0.446488016426   0.189355175317   
C34   C     0.473773780412   0.946488016426   0.810644824683   
C35   C     0.792899657640   0.111697614709   0.807034597439   
C36   C     0.207100342360   0.611697614709   0.192965402561   
C37   C     0.606967302804   0.163828893945   0.427476495544   
C38   C     0.393032697196   0.663828893945   0.572523504456   
C39   C     0.158081563905   0.337063550366   0.528158127268   
C40   C     0.841918436095   0.837063550366   0.471841872732   
C41   C     0.090063802306   0.283639668146   0.673262079392   
C42   C     0.909936197694   0.783639668146   0.326737920608   
C43   C     0.721909264067   0.101463786544   0.326836525898   
C44   C     0.278090735934   0.601463786544   0.673163474102   
C45   C     0.659528473127   0.388701736275   0.151437148649   
C46   C     0.340471526873   0.888701736275   0.848562851351   
C47   C     0.296053951390   0.193323174776   0.021494447637   
C48   C     0.703946048611   0.693323174776   0.978505552363   
C49   C     0.894896959751   0.992481317724   0.793328470088   
C50   C     0.105103040249   0.492481317724   0.206671529912   
N1   N     0.256564607044   0.298730406454   0.910388272529   
N2   N     0.743435392956   0.798730406454   0.089611727471   
N3   N     0.766390537990   0.497483958400   0.182653972820   
N4   N     0.233609462010   0.997483958400   0.817346027180   
N5   N     0.886836197706   0.205423176006   0.250186676882   
N6   N     0.113163802295   0.705423176006   0.749813323118   
N7   N     0.982626870082   0.395057091382   0.788121686169   
N8   N     0.017373129918   0.895057091382   0.211878313831   
N9   N     0.846472502710   0.101964276876   0.931844805335   
N10   N     0.153527497290   0.601964276876   0.068155194665   
O1   O     0.193790432251   0.107345298094   0.743184056307   
O2   O     0.806209567749   0.607345298094   0.256815943693   
O3   O     0.002360580162   0.313248345031   0.238749040843   
O4   O     0.997639419838   0.813248345031   0.761250959157   
O5   O     0.871121116637   0.505927245612   0.847962307444   
O6   O     0.128878883363   0.005927245611   0.152037692556   
O7   O     0.756566731370   0.211592059807   0.040321730265   
O8   O     0.243433268630   0.711592059807   0.959678269735   
O9   O     0.283094843286   0.404747359401   0.783623781050   
O10   O     0.716905156714   0.904747359401   0.216376218951   
#END
