Packing considerations of bis-dimedone derivatives
Bolte, Michael; Degen, Alexander; Rühl, Stephan; Acta Crystallographica Section C 57 (2001) 446–451; doi:10.1107/S0108270101001792

data_2011906
_publ_section_title
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 Packing considerations of bis-dimedone derivatives
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_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              446
_journal_page_last               451
_journal_paper_doi               10.1107/S0108270101001792
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'C23 H27 F O4'
_chemical_formula_sum            'C23 H27 F O4'
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_cell_length_b                   21.186(4)
_cell_length_c                   36.6330(10)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25
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_cell_volume                     16443(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Siemens, 1995)'
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_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 1991)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens CCD three-circle diffractometer'
_diffrn_measurement_method       \w
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    .090
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_exptl_crystal_density_method    'not measured'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0294P)^2^+9.1605P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     'I 41b -2c'
_cod_original_sg_symbol_H-M      I41cd
_cod_database_code               2011906