# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2BPP
_audit_block_doi                 10.5517/cc1jpbfz
_database_code_depnum_ccdc_archive 'CCDC 1420681'
_audit_update_record             
;
2015-08-26 deposited with the CCDC.
2015-11-10 downloaded from the CCDC.
;
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   7.5111(10)
_cell_length_b                   14.653(2)
_cell_length_c                   17.269(2)
_cell_angle_alpha                96.828(3)
_cell_angle_beta                 90.896(3)
_cell_angle_gamma                100.215(3)
_cell_volume                     1855.88
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.584657 0.504272 0.357682
C1 C 0.581955 0.446915 0.403388
C2 C 0.526485 0.460166 0.484861
N1 N 0.525386 0.385735 0.529048
H1 H 0.480615 0.390717 0.575835
C3 C 0.589436 0.30584 0.504123
C4 C 0.598539 0.239756 0.55412
C5 C 0.660249 0.154282 0.52581
N2 N 0.666016 0.090119 0.574194
C6 C 0.720349 0.012841 0.54405
C7 C 0.730833 -0.058617 0.593054
H2 H 0.695661 -0.050291 0.645658
C8 C 0.790004 -0.137498 0.565394
H3 H 0.799564 -0.183191 0.599182
C9 C 0.838504 -0.153148 0.485823
H4 H 0.876421 -0.209842 0.466625
C10 C 0.830382 -0.086645 0.437345
H5 H 0.863451 -0.097133 0.384593
C11 C 0.773594 -0.00316 0.465014
N3 N 0.767311 0.062005 0.416059
C12 C 0.713192 0.140734 0.445527
C13 C 0.707364 0.212487 0.39684
C14 C 0.64342 0.290699 0.425293
N4 N 0.632585 0.36209 0.379999
H6 H 0.661244 0.35204 0.330892
C15 C 0.540933 0.254217 0.632614
C16 C 0.483158 0.26929 0.696369
Si1 Si 0.393451 0.278467 0.794354
C17 C 0.422674 0.167085 0.833605
H7 H 0.550699 0.180652 0.854616
C18 C 0.308723 0.159483 0.908127
H9 H 0.18176 0.160119 0.894651
H10 H 0.355048 0.212526 0.947596
H11 H 0.317812 0.10103 0.928928
C19 C 0.414158 0.081897 0.778959
H12 H 0.455912 0.033832 0.805787
H13 H 0.491836 0.095436 0.735156
H14 H 0.289025 0.059387 0.759348
C20 C 0.17679 0.31977 0.789979
H18 H 0.221925 0.385887 0.780835
C21 C 0.097766 0.336249 0.866524
H83 H 0.188737 0.336223 0.907822
H84 H -0.006394 0.286661 0.871126
H85 H 0.058231 0.39686 0.871696
C22 C 0.068638 0.28773 0.720165
H22 H 0.022511 0.220557 0.7181
H23 H 0.142338 0.29942 0.674833
H24 H -0.033263 0.321194 0.71958
C23 C 0.516575 0.383777 0.853706
H76 H 0.424697 0.405635 0.889226
C24A C 0.656139 0.361557 0.906379
H86 H 0.606892 0.304962 0.92961
H87 H 0.691627 0.413784 0.947825
H88 H 0.762236 0.351224 0.876551
C25A C 0.602162 0.465277 0.821946
H36 H 0.509646 0.497438 0.802792
H37 H 0.676713 0.447194 0.77869
H38 H 0.678929 0.507192 0.862537
C26 C 0.769913 0.205856 0.318897
C27 C 0.824968 0.208931 0.253911
Si2 Si 0.929266 0.211743 0.158012
C28 C 1.15703 0.185144 0.172373
H39 H 1.21607 0.18532 0.120876
C29 C 1.14475 0.082713 0.197518
H40 H 1.26713 0.07023 0.205788
H41 H 1.08039 0.036448 0.156198
H42 H 1.07923 0.078683 0.245979
C30 C 1.27785 0.266139 0.232457
H43 H 1.21785 0.271729 0.282343
H44 H 1.29167 0.325705 0.210723
H45 H 1.39741 0.250168 0.240792
C31 C 0.784629 0.120297 0.087473
H46 H 0.780791 0.061018 0.11124
C32 C 0.863052 0.101621 0.009634
H47 H 0.802698 0.040563 -0.016245
H48 H 0.992852 0.101672 0.016423
H49 H 0.84515 0.150352 -0.022435
C33 C 0.591603 0.130205 0.080045
H50 H 0.580586 0.177823 0.045803
H51 H 0.5482 0.149024 0.131696
H52 H 0.518858 0.070294 0.057742
C34 C 0.935737 0.333602 0.132346
H53 H 1.01091 0.375867 0.175025
C35 C 0.757564 0.365658 0.131633
H54 H 0.767451 0.420681 0.103708
H55 H 0.723469 0.381866 0.185392
H56 H 0.66499 0.31544 0.105333
C36 C 1.03723 0.349658 0.057247
H57 H 0.969862 0.309886 0.012855
H58 H 1.15809 0.33395 0.062116
H59 H 1.04852 0.415385 0.048844
O1 O 0.415343 0.495728 0.642318
C1 C 0.418045 0.553085 0.596612
C2 C 0.473515 0.539834 0.515139
N1 N 0.474614 0.614265 0.470952
H1 H 0.519385 0.609283 0.424165
C3 C 0.410564 0.69416 0.495877
C4 C 0.401461 0.760244 0.44588
C5 C 0.339751 0.845718 0.47419
N2 N 0.333984 0.909881 0.425806
C6 C 0.279651 0.987159 0.45595
C7 C 0.269167 1.05862 0.406946
H2 H 0.304339 1.05029 0.354342
C8 C 0.209996 1.1375 0.434606
H3 H 0.200436 1.18319 0.400818
C9 C 0.161496 1.15315 0.514177
H4 H 0.123579 1.20984 0.533375
C10 C 0.169618 1.08665 0.562655
H5 H 0.136549 1.09713 0.615407
C11 C 0.226406 1.00316 0.534986
N3 N 0.232689 0.937995 0.583941
C12 C 0.286808 0.859266 0.554473
C13 C 0.292636 0.787513 0.60316
C14 C 0.35658 0.709301 0.574707
N4 N 0.367415 0.63791 0.620001
H6 H 0.338756 0.64796 0.669108
C15 C 0.459067 0.745783 0.367386
C16 C 0.516842 0.73071 0.303631
Si1 Si 0.606549 0.721533 0.205646
C17 C 0.577326 0.832915 0.166395
H7 H 0.449301 0.819348 0.145384
C18 C 0.691277 0.840517 0.091873
H9 H 0.81824 0.839881 0.105349
H10 H 0.644952 0.787474 0.052404
H11 H 0.682188 0.89897 0.071072
C19 C 0.585842 0.918103 0.221041
H12 H 0.544088 0.966168 0.194213
H13 H 0.508164 0.904564 0.264844
H14 H 0.710975 0.940613 0.240652
C20 C 0.82321 0.68023 0.210021
H18 H 0.778075 0.614113 0.219165
C21 C 0.902234 0.663751 0.133476
H83 H 0.811263 0.663777 0.092178
H84 H 1.00639 0.713339 0.128874
H85 H 0.941769 0.60314 0.128304
C22 C 0.931362 0.71227 0.279835
H22 H 0.977489 0.779443 0.2819
H23 H 0.857662 0.70058 0.325167
H24 H 1.03326 0.678806 0.28042
C23 C 0.483425 0.616223 0.146294
H76 H 0.575303 0.594365 0.110774
C24A C 0.343861 0.638443 0.093621
H86 H 0.393108 0.695038 0.07039
H87 H 0.308373 0.586216 0.052175
H88 H 0.237764 0.648776 0.123449
C25A C 0.397838 0.534723 0.178054
H36 H 0.490354 0.502562 0.197208
H37 H 0.323287 0.552806 0.22131
H38 H 0.321071 0.492808 0.137463
C26 C 0.230087 0.794144 0.681103
C27 C 0.175032 0.791069 0.746089
Si2 Si 0.070734 0.788257 0.841988
C28 C -0.157029 0.814856 0.827627
H39 H -0.21607 0.81468 0.879124
C29 C -0.144754 0.917287 0.802482
H40 H -0.267125 0.92977 0.794212
H41 H -0.080388 0.963552 0.843802
H42 H -0.079227 0.921317 0.754021
C30 C -0.277854 0.733861 0.767543
H43 H -0.217855 0.728271 0.717657
H44 H -0.291667 0.674295 0.789277
H45 H -0.397411 0.749832 0.759208
C31 C 0.215371 0.879703 0.912527
H46 H 0.219209 0.938982 0.88876
C32 C 0.136948 0.898379 0.990366
H47 H 0.197302 0.959437 1.01625
H48 H 0.007148 0.898328 0.983577
H49 H 0.15485 0.849648 1.02244
C33 C 0.408397 0.869795 0.919955
H50 H 0.419414 0.822177 0.954197
H51 H 0.4518 0.850976 0.868304
H52 H 0.481142 0.929706 0.942258
C34 C 0.064263 0.666398 0.867654
H53 H -0.010914 0.624133 0.824975
C35 C 0.242436 0.634342 0.868367
H54 H 0.232549 0.579319 0.896292
H55 H 0.276531 0.618134 0.814608
H56 H 0.33501 0.68456 0.894667
C36 C -0.037234 0.650342 0.942753
H57 H 0.030138 0.690114 0.987145
H58 H -0.15809 0.66605 0.937884
H59 H -0.048522 0.584615 0.951156

#END
