A Synthesis of Alsmaphorazine B Demonstrates the Chemical Feasibility of a New Biogenetic Hypothesis.
Hong, Allen Y.; Vanderwal, Christopher D.; Journal of the American Chemical Society 137 (2015) 7306–7309; doi:10.1021/jacs.5b04686

data_4123799
_publ_section_title
;
 A Synthesis of Alsmaphorazine B Demonstrates the Chemical Feasibility of
 a New Biogenetic Hypothesis.
;
_journal_issue                   23
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7306
_journal_page_last               7309
_journal_paper_doi               10.1021/jacs.5b04686
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C20 H20 N2 O4'
_chemical_formula_weight         352.38
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0850(4)
_cell_length_b                   23.7722(15)
_cell_length_c                   11.9955(7)
_cell_measurement_reflns_used    6995
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.44
_cell_volume                     1689.86(18)
_computing_cell_refinement       'Bruker SAINT 8.34a, 2013'
_computing_data_collection       'Bruker APEX2 2014.11-0, 2014'
_computing_data_reduction        'Bruker SAINT 8.34a, 2013'
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_diffrn_ambient_temperature      133(2)
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_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_number            18425
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0635P)^2^+1.3419P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2912
_reflns_number_total             3455
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b04686_si_002.cif
_cod_data_source_block           cdv37
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4123799--4123800.cif.
;
_cod_database_code               4123799
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_shelx_estimated_absorpt_t_max   0.983
_shelx_res_checksum              74912
_shelx_hkl_checksum              38599