2,2'-Di-<i>O</i>-acetyl-3,6;3',6'-dianhydro-4,4'-dideoxy-α,α-trehalose
Lee, C.K.; Koh, L.L.; Acta Crystallographica Section C 50 (1994) 597–601; doi:10.1107/S0108270193008534

data_2009620
_publ_section_title
;
 2,2'-Di-<i>O</i>-acetyl-3,6;3',6'-dianhydro-4,4'-dideoxy-\a,\a-trehalose
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              597
_journal_page_last               601
_journal_paper_doi               10.1107/S0108270193008534
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C16 H22 O9'
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_cell_angle_beta                 90.
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_cell_length_c                   23.60(2)
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_cell_measurement_temperature    297
_cell_measurement_theta_max      10.5
_cell_measurement_theta_min      4.3
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_diffrn_measurement_device       'Siemens R3m/V'
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_diffrn_reflns_limit_k_max       10
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_diffrn_standards_decay_%        +-1.5
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_diffrn_standards_number         2
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_refine_ls_extinction_coef       '\c = 0.0008'
_refine_ls_extinction_method     'F^*^ = F(1 + 0.002\cF^2^/sin2\q)^-1/4^'
_refine_ls_goodness_of_fit_obs   1.31
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         1065
_refine_ls_R_factor_obs          0.0597
_refine_ls_shift/esd_max         0.248
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0005F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0537
_reflns_number_observed          1065
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_cod_data_source_file            hl1037.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.0005F^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) +
0.0005F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1708(2)
_cod_database_code               2009620