#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/08/2000850.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_2000850
loop_
_publ_author_name
'Blaser, D.'
'Gunzinger, J.'
'Stoeckli-Evans, H.'
'Tabacchi, R.'
_publ_section_title
;
 Structure of 2-methoxy methyl β-orcinol carboxylate (methyl
 4-hydroxy-2-methoxy-3,6-dimethylbenzoate)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1126
_journal_page_last               1127
_journal_paper_doi               10.1107/S010827019101274X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C11 H14 O4'
_chemical_formula_sum            'C11 H14 O4'
_chemical_formula_weight         210.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.810(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.9310(10)
_cell_length_b                   7.9500(10)
_cell_length_c                   8.9290(10)
_cell_volume                     548.97(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.09
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_meas      1.27
_exptl_crystal_F_000             224
_cod_data_source_file            al0508.cif
_cod_data_source_block           al0508a
_cod_original_cell_volume        549.0
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2000850
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O(1) .6623(3) .4171 .6727(2)
O(2) .4723(3) .2218(4) .7017(2)
O(3) .5325(2) .3685(4) 1.0185(2)
O(4) 1.0236(3) .0825(4) 1.3094(2)
C(1) .7289(3) .2359(4) .8916(3)
C(2) .6787(3) .2708(4) 1.0283(3)
C(3) .7780(3) .2234(4) 1.1701(3)
C(4) .9281(3) .1314(5) 1.1701(3)
C(5) .9786(3) .0949(5) 1.0348(3)
C(6) .8819(3) .1485(4) .8931(3)
C(7) .6204(3) .3034(5) .7447(3)
C(8) .3530(5) .2827(7) .5661(4)
C(9) .9394(5) .1055(6) .7479(4)
C(10) .7305(5) .2734(6) 1.3182(4)
C(11) .3825(4) .2798(6) 1.0400(5)
H04 1.120(7) 0.033(7) 1.290(6)
H5 1.081(4) 0.027(4) 1.034(3)
H8A 0.263(7) 0.212(8) 0.549(6)
H8B 0.403(5) 0.311(6) 0.492(5)
H8C 0.293(8) 0.360(10) 0.604(7)
H9A 0.874(11) 0.007(12) 0.674(10)
H9B 1.034(6) 0.027(8) 0.761(6)
H9C 0.941(9) 0.195(11) 0.687(8)
H10A 0.652(5) 0.376(6) 1.302(5)
H10B 0.678(8) 0.186(9) 1.366(7)
H10C 0.834(6) 0.301(7) 1.385(6)
H11A 0.393(7) 0.199(8) 1.117(6)
H11B 0.356(7) 0.176(8) 0.962(6)
H11C 0.296(6) 0.354(8) 1.023(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O(1) C(7) 1.197(4)
O(2) C(7) 1.322(3)
O(2) C(8) 1.445(4)
O(3) C(2) 1.382(3)
O(3) C(11) 1.432(4)
O(4) C(4) 1.361(3)
C(1) C(2) 1.393(4)
C(1) C(6) 1.396(4)
C(1) C(7) 1.500(4)
C(2) C(3) 1.387(4)
C(3) C(4) 1.397(4)
C(3) C(10) 1.507(4)
C(4) C(5) 1.385(4)
C(5) C(6) 1.393(4)
C(6) C(9) 1.506(4)
