From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold; Acta Crystallographica Section B 75 (2019) –; doi:10.1107/S2052520619008461

data_2108469
_publ_section_title
;
 From space group to space groupoid: the partial symmetry of
 low-temperature <i>E</i>-vanillyl oxime
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520619008461
_journal_volume                  75
_journal_year                    2019
_chemical_formula_sum            'C8 H9 N O3'
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_symmetry_cell_setting           triclinic
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_audit_creation_method           'Jana2006 Version : 28/11/2018'
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_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_structure_refinement  'Jana 2006 (Pet\<r\'i\<cek et al., 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
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_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_l_min       -11
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_diffrn_reflns_theta_max         32.75
_diffrn_reflns_theta_min         1.13
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_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.94
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.4348
_exptl_crystal_description       block
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_cod_data_source_file            um5028sup1.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        2322(11)
_cod_database_code               2108469