Catalysis by Organic Solids. Stereoselective Diels-Alder Reactions Promoted by Microporous Molecular Crystals Having an Extensive Hydrogen-Bonded Network
Ken Endo; Takashi Koike; Tomoya Sawaki; Osamu Hayashida; Hideki Masuda; Yasuhiro Aoyama; Journal of the American Chemical Society 119 (1997) 4117–4122; doi:10.1021/ja964198s

data_4116971
_publ_section_title
;
 Catalysis by Organic Solids. Stereoselective Diels-Alder Reactions
 Promoted by Microporous Molecular Crystals Having an Extensive
 Hydrogen-Bonded Network
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4117
_journal_page_last               4122
_journal_paper_doi               10.1021/ja964198s
_journal_volume                  119
_journal_year                    1997
_chemical_formula_sum            'C84 H84 O16'
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_cell_angle_beta                 109.34(1)
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_cell_measurement_temperature    230
_cell_measurement_theta_max      25
_cell_measurement_theta_min      20
_cell_volume                     7544(3)
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_diffrn_reflns_limit_h_min       0
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_refine_ls_R_factor_obs          0.062
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.070
_reflns_number_observed          4600
_reflns_number_total             9728
_reflns_observed_criterion       >3\s(I)
_cod_data_source_file            ja964198s.cif
_cod_data_source_block           (JA964198S-369)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00022|Fo|^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^(Fo) + 0.00022|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        7544.1401
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