# Electronic Supplementary Material (ESI) for Green Chemistry
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               'Green Chemistry'

_journal_coden_Cambridge         1048
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Dr Gamal El-Hiti'
_publ_contact_author_email       smithk13@cardiff.ac.uk

_publ_section_title              
;
Highly regioselective di-tert-amylation of
naphthalene over reusable H-mordenite zeolite catalyst
;
loop_
_publ_author_name
G.El-Hiti
K.Smith
A.Al-Khalaf

# Attachment '- CCDC 827589.cif'

#######################################################################
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# CCDC
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data_ks0908
_database_code_depnum_ccdc_archive 'CCDC 827589'
#TrackingRef '- CCDC 827589.cif'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   6.7860(18)
_cell_length_b                   12.584(2)
_cell_length_c                   9.896(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.038(8)
_cell_angle_gamma                90.00
_cell_volume                     842.971
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 0.9033(9) 1.0139(5) 0.0106(6)
C2 C 0.8052(11) 0.9724(6) 0.1147(8)
H2 H 0.6726 0.9924 0.1268
C3 C 0.9018(11) 0.9017(5) 0.2009(8)
H3 H 0.8334 0.8740 0.2736
C4 C 1.0988(11) 0.8675(5) 0.1876(7)
C5 C 1.1932(11) 0.9076(5) 0.0847(7)
H5 H 1.3245 0.8854 0.0725
C6 C 1.1888(10) 0.7853(5) 0.2867(7)
C7 C 1.4039(14) 0.7692(11) 0.2729(13)
H7A H 1.4229 0.7311 0.1885
H7B H 1.4604 0.7276 0.3499
H7C H 1.4700 0.8384 0.2713
C8 C 1.0747(17) 0.6803(7) 0.2673(14)
H8A H 0.9340 0.6929 0.2778
H8B H 1.1256 0.6287 0.3353
H8C H 1.0916 0.6523 0.1765
C9 C 1.1610(15) 0.8201(7) 0.4350(9)
H9A H 1.0178 0.8195 0.4484
H9B H 1.2238 0.7659 0.4964
C10 C 1.2407(19) 0.9259(7) 0.4779(11)
H10A H 1.3785 0.9316 0.4550
H10B H 1.2340 0.9339 0.5760
H10C H 1.1622 0.9819 0.4310
C1 C 1.0967(9) 0.9861(5) -0.0106(6)
C2 C 1.1948(11) 1.0276(6) -0.1147(8)
H2 H 1.3274 1.0076 -0.1268
C3 C 1.0982(11) 1.0983(5) -0.2009(8)
H3 H 1.1666 1.1260 -0.2736
C4 C 0.9012(11) 1.1325(5) -0.1876(7)
C5 C 0.8068(11) 1.0924(5) -0.0847(7)
H5 H 0.6755 1.1146 -0.0725
C6 C 0.8112(10) 1.2147(5) -0.2867(7)
C7 C 0.5961(14) 1.2308(11) -0.2729(13)
H7A H 0.5771 1.2689 -0.1885
H7B H 0.5396 1.2724 -0.3499
H7C H 0.5300 1.1616 -0.2713
C8 C 0.9253(17) 1.3197(7) -0.2673(14)
H8A H 1.0660 1.3071 -0.2778
H8B H 0.8744 1.3713 -0.3353
H8C H 0.9084 1.3477 -0.1765
C9 C 0.8390(15) 1.1799(7) -0.4350(9)
H9A H 0.9822 1.1805 -0.4484
H9B H 0.7762 1.2341 -0.4964
C10 C 0.7593(19) 1.0741(7) -0.4779(11)
H10A H 0.6215 1.0684 -0.4550
H10B H 0.7660 1.0661 -0.5760
H10C H 0.8378 1.0181 -0.4310

#END