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#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
#$Revision: 205898 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/57/2015714.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2015714
loop_
_publ_author_name
'Stavropoulos, G.'
'Papaioannou, D.'
'Karagiannis, K.'
'Vlassi, M.'
'Nastopoulos, V.'
_publ_section_title
;
 Structure of
 cis-4-hydroxy-N-triphenylmethyl-<small>L</small>-proline
 methyl ester
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1461
_journal_page_last               1464
_journal_paper_doi               10.1107/S0108270189012084
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'C25 H25 N O3'
_chemical_formula_weight         387.5
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.833
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.788(3)
_cell_length_b                   8.7717(13)
_cell_length_c                   17.5559(19)
_cell_volume                     2066.7(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.658
_exptl_crystal_density_diffrn    1.24
_exptl_crystal_F_000             824
_cod_data_source_file            mu0107.cif
_cod_data_source_block           mu0107a
_cod_original_cell_volume        2066.6(6)
_cod_original_formula_sum        'C25 H25 N1 O3'
_cod_database_code               2015714
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 1.0588(2) .1388 .7768(2)
C2A 1.0156(2) .0794(4) .8376(2)
C3A 1.0349(3) -.0681(5) .8716(2)
C4A .9854(3) -.1260(5) .9172(2)
C5A .9137(3) -.0400(5) .9281(2)
C6A .8933(3) .1055(5) .8960(2)
C7A .9442(3) .1648(4) .8520(2)
C8A 1.1572(3) .0571(4) .7893(2)
C9A 1.2323(3) .0328(4) .8699(2)
C10A 1.3235(3) -.0275(5) .8804(3)
C11A 1.3419(3) -.0660(5) .8133(3)
C12A 1.2693(3) -.0404(5) .7341(3)
C13A 1.1776(3) .0202(5) .7223(3)
C14A 1.0871(2) .3071(4) .7882(2)
C15A 1.0958(3) .3876(4) .7239(3)
C16A 1.1277(3) .5365(5) .7346(3)
C17A 1.1548(3) .6080(5) .8091(3)
C18A 1.1488(3) .5308(5) .8752(3)
C19A 1.1152(3) .3793(4) .8656(3)
N20A .9853(2) .1095(4) .6892(2)
C21A .8947(3) .2069(5) .6578(2)
C22A .8044(3) .1031(6) .6438(3)
C23A .8452(3) -.0580(6) .6633(3)
C24A .9501(3) -.0481(5) .6669(2)
C25A .8834(3) .2806(6) .5759(3)
O26A .8698(4) .4268(4) .5768(2)
C27A .8629(6) .5130(8) .5039(4)
O28A .8841(3) .2114(5) .5157(2)
O29A .7844(3) -.1706(5) .6076(2)
C1B .5507(2) .3715(4) .7705(2)
C2B .6491(2) .4487(4) .7822(2)
C3B .7269(3) .4608(4) .8618(2)
C4B .8186(3) .5192(5) .8717(3)
C5B .8338(3) .5618(5) .8022(3)
C6B .7579(3) .5493(5) .7222(3)
C7B .6658(3) .4929(4) .7127(2)
C8B .5121(2) .4224(4) .8369(2)
C9B .5363(2) .5649(4) .8737(2)
C10B .4877(3) .6199(5) .9225(2)
C11B .4172(3) .5328(6) .9332(2)
C12B .3940(3) .3894(5) .8974(2)
C13B .4419(3) .3346(4) .8501(2)
C14B .5763(2) .1993(4) .7764(2)
C15B .5802(2) .1261(5) .7065(2)
C16B .6158(3) -.0244(5) .7149(3)
C17B .6452(3) -.1001(5) .7895(3)
C18B .6410(3) -.0283(4) .8591(3)
C19B .6070(3) .1199(4) .8518(2)
N20B .4729(2) .4069(3) .6842(2)
C21B .4386(2) .5655(4) .6713(2)
C22B .3347(3) .5657(5) .6736(2)
C23B .2937(2) .4100(5) .6402(2)
C24B .3824(3) .3110(5) .6496(2)
C25B .4330(3) .6291(5) .5894(2)
O26B .4085(3) .7788(3) .5854(2)
C27B .4075(5) .8633(7) .5142(3)
O28B .4457(3) .5645(4) .5357(2)
O29B .2290(3) .4194(5) .5525(2)
H3A 1.0896(3) -.1382(5) .8624(2)
H4A 1.0036(3) -.2384(5) .9445(2)
H5A .8727(3) -.0882(5) .9607(2)
H6A .8382(3) .1739(5) .9055(2)
H7A .9277(3) .2794(4) .8275(2)
H9A 1.2181(3) .0610(4) .9238(2)
H10A 1.3807(3) -.0443(5) .9431(3)
H11A 1.4127(3) -.1143(5) .8220(3)
H12A 1.2829(3) -.0703(5) .6802(3)
H13A 1.1207(3) .0383(5) .6596(3)
H15A 1.0775(3) .3317(4) .6645(3)
H16A 1.1308(3) .5976(5) .6823(3)
H17A 1.1818(3) .7240(5) .8176(3)
H18A 1.1696(3) .5873(5) .9349(3)
H19A 1.1107(3) .3196(4) .9176(3)
H21A .9009(3) .2948(5) .7028(2)
H22A .7508(3) .1097(6) .5791(3)
H22B .7693(3) .1368(6) .6842(3)
H23A .8485(3) -.0934(6) .7234(3)
H24A .9477(3) -.0770(5) .6063(2)
H24B .9990(3) -.1262(5) .7136(2)
H27A .8515(6) .6318(8) .5137(4)
H27B .8014(6) .4726(8) .4481(4)
H27C .9315(6) .5005(8) .4967(4)
H29A .780(4) -.117(7) .559(3)
H3B .7155(3) .4255(4) .9161(2)
H4B .8785(3) .5313(5) .9336(3)
H5B .9055(3) .6048(5) .8097(3)
H6B .7705(3) .5815(5) .6680(3)
H7B .6059(3) .4852(4) .6506(2)
H9B .5921(2) .6334(4) .8653(2)
H10B .5059(3) .7314(5) .9510(2)
H11B .3798(3) .5753(6) .9701(2)
H12B .3382(3) .3215(5) .9062(2)
H13B .4249(3) .2212(4) .8240(2)
H15B .5575(2) .1860(5) .6476(2)
H16B .6179(3) -.0823(5) .6613(3)
H17B .6728(3) -.2155(5) .7950(3)
H18B .6644(3) -.0888(4) .9179(3)
H19B .6034(3) .1755(4) .9053(2)
H21B .4905(2) .6373(4) .7201(2)
H22C .2877(3) .6541(5) .6337(2)
H22D .3421(3) .5817(5) .7369(2)
H23B .2539(2) .3643(5) .6744(2)
H24C .3711(3) .2676(5) .5887(2)
H24D .3899(3) .2169(5) .6915(2)
H27D .3867(5) .9806(7) .5168(3)
H27E .3552(5) .8118(7) .4567(3)
H27F .4814(5) .8591(7) .5161(3)
H29B .170(7) .471(7) .544(3)
