Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane
Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G.; Acta Crystallographica Section B 57 (2001) 63–71; doi:10.1107/S0108768100013331

data_2103556
_publ_section_title
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 Synthesis and structure of, and bonding in some derivatives of
 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane
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_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              63
_journal_page_last               71
_journal_paper_doi               10.1107/S0108768100013331
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'C13 H20 O7'
_chemical_formula_weight         288.3
_space_group_IT_number           14
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_cell_angle_gamma                90.00000
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_cell_length_a                   8.629(6)
_cell_length_b                   11.047(7)
_cell_length_c                   14.573(4)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      52.68
_cell_measurement_theta_min      16.83
_cell_volume                     1388.6(14)
_computing_data_reduction        'xtal DIFDAT SORTRF ADDREF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
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_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       '   \w/2\q'
_diffrn_radiation_monochromator  '    graphite'
_diffrn_radiation_source         '    Cu anode'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54179
_diffrn_reflns_av_R_equivalents  .025
_diffrn_reflns_av_sigmaI/netI    .022
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_reduction_process 'perpendicular monochr Lp'
_diffrn_reflns_theta_max         73.12
_diffrn_reflns_theta_min         5.02
_diffrn_standards_decay_%        5
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .953
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            '     colourless'
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_description       '     irregular'
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_exptl_crystal_size_max          .6
_exptl_crystal_size_mid          .5
_exptl_crystal_size_min          .3
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_refine_diff_density_min         -.203
_refine_ls_extinction_coef       152E1(4)
_refine_ls_extinction_method     Zachariasen
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_refine_ls_goodness_of_fit_ref   1
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
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_refine_ls_structure_factor_coef Fsqd
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_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         .063
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_cod_data_source_file            jz0010.cif
_cod_data_source_block           5eq
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value ' none' changed to 'none' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value ' refall' changed to
'refall' 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:

'_exptl_absorpt_correction_type' value ' none' changed to 'none'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value ' refall' changed
to 'refall' 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_database_code               2103556
_cod_database_fobs_code          2103556