#------------------------------------------------------------------------------
#$Date: 2025-08-18 23:52:38 +0100 (Mon, 18 Aug 2025) $
#$Revision: 301791 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/02/2000233.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_2000233
loop_
_publ_author_name
'Prince, P.'
'Fronczek, F. R.'
'Gandour, R. D.'
_publ_section_title
;
 7-Methoxy-2-naphthol
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2218
_journal_page_last               2220
_journal_paper_doi               10.1107/S0108270191003992
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C11 H10 O2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.857(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.662(3)
_cell_length_b                   5.9287(7)
_cell_length_c                   8.4003(10)
_cell_volume                     866.6(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.701
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_F_000             368
_cod_data_source_file            st0497.cif
_cod_data_source_block           st0497a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        866.6(4)
_cod_database_code               2000233
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 .42132(8) .4286(3) .6200(2)
O2 .06235(8) .2100(3) .0656(2)
C1 .34870(10) .4740(4) .5409(2)
C2 .31850(10) .6812(4) .5879(2)
C3 .24740(10) .7486(3) .5188(2)
C4 .20040(10) .6139(3) .4020(2)
C5 .12550(10) .6785(4) .3295(2)
C6 .08110(10) .5433(4) .2197(2)
C7 .11110(10) .3354(4) .1767(2)
C8 .18330(10) .2672(3) .2432(2)
C9 .23040(10) .4043(3) .3574(2)
C10 .30590(10) .3399(4) .4287(2)
C11 .45720(10) .2279(5) .5735(3)
H20 .093(2) .103(7) .033(4)
H2 .3530(10) .773(4) .670(3)
H3 .2240(10) .889(4) .552(2)
H5 .1010(10) .827(5) .368(3)
H6 .0290(10) .580(3) .166(2)
H8 .2060(10) .132(4) .209(2)
H10 .3260(10) .206(3) .395(2)
H11a .510(2) .230(5) .655(3)
H11b .423(2) .093(6) .601(3)
H11c .460(2) .232(5) .448(3)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 853173