A novel dioxabicyclo[3.3.1]nonane, a key intermediate in the synthesis of erythronolide B <i>seco</i>-acid
Lynch, Vincent M; Lee, Wen-Cherng; Martin, Stephen F.; Davis, Brian E.; Acta Crystallographica Section C 50 (1994) 1467–1469; doi:10.1107/S0108270193012880

data_2010037
_publ_section_title
;
 A novel dioxabicyclo[3.3.1]nonane, a key intermediate in the synthesis
 of erythronolide B <i>seco</i>-acid
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1467
_journal_page_last               1469
_journal_paper_doi               10.1107/S0108270193012880
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C16 H24 N2 O4'
_chemical_formula_sum            'C16 H24 N2 O4'
_chemical_formula_weight         308.38
_chemical_name_systematic
;(1R,4S,5R,6R,8R)-1-ethyl-6-(N-imidazolyl)carbonyloxy-4,6,8-
trimethyl-2,9-dioxabicyclo[3.3.1]nonane
;
_symmetry_cell_setting           monoclinic
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_cell_angle_gamma                90.0
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_cell_length_b                   10.156(2)
_cell_length_c                   17.575(2)
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_cell_measurement_theta_min      9.2
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_computing_cell_refinement       'Siemens P3/V data collection system'
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_computing_data_reduction        'SHELXTL-Plus (Sheldrick, 1991)'
_computing_molecular_graphics    SHELXTL-Plus
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_computing_structure_solution    SHELXTL-Plus
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_diffrn_measurement_device       'Nicolet R3 diffractometer'
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_diffrn_reflns_theta_min         2.0
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_diffrn_standards_interval_count 96
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.086
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'modified Larson (1982); SHELXTL-Plus (Sheldrick, 1991)'
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_cod_data_source_file            hh1043.cif
_cod_data_source_block           structure
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w = 1/[\s^2^(F) +
0.0004F^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(F) + 0.0004F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1597.5(4)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2010037