2<i>H</i>-1-Benzopyrans. I. (<i>E</i>)-4-Chloro-2-[dimethoxyphosphoryl(dimethoxyphosphoryloxy)methylene]-2<i>H</i>-1-benzopyran
Olszak, T.A.; Stepien, A.J.; Renz, M.; Grabowski, M.J.; Acta Crystallographica Section C 50 (1994) 284–286; doi:10.1107/S0108270193010145

data_2009456
_publ_section_title
;2<i>H</i>-1-Benzopyrans. I.
 (<i>E</i>)-4-Chloro-2-[dimethoxyphosphoryl(dimethoxyphosphoryloxy)methylene]-2<i>H</i>-1-benzopyran
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              284
_journal_page_last               286
_journal_paper_doi               10.1107/S0108270193010145
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C14 H17 Cl1 O8 P2'
_chemical_formula_sum            'C14 H17 Cl O8 P2'
_chemical_formula_weight         410.7
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source
; the CRULER package (Rizzoli, Sangermano, Calestani
& Andreetti, 1986)
;
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   16.7480(10)
_cell_length_b                   27.619(3)
_cell_length_c                   7.9620(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      49.1
_cell_measurement_theta_min      18.0
_cell_volume                     3682.9(6)
_diffrn_measurement_device       'Kuma KM4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            8414
_diffrn_reflns_theta_max         80
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 60
_diffrn_standards_interval_time  100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.891
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.4813(2)
_exptl_crystal_density_meas      1.472
_exptl_crystal_description       'thick tabular'
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.60
_refine_ls_goodness_of_fit_obs   1.41
_refine_ls_number_parameters     267
_refine_ls_number_reflns         3059
_refine_ls_R_factor_obs          0.049
_refine_ls_shift/esd_max         0.23
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0451
_reflns_number_observed          3059
_reflns_number_total             3763
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hu1041.cif
_cod_data_source_block           hu1041_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3682.9(7)
_cod_original_formula_sum        'C14 H17 Cl1 O8 P2'
_cod_database_code               2009456