#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000233.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_volume 47 _journal_year 1991 _chemical_formula_sum 'C11 H10 O2' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M '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(4) _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 _[local]_cod_data_source_file st0497.cif _[local]_cod_data_source_block st0497a 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) _cod_database_code 2000233