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_4123800
_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 O5'
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
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_atom_sites_solution_secondary   difmap
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_cell_length_a                   8.3551(7)
_cell_length_b                   8.8733(8)
_cell_length_c                   12.5301(11)
_cell_measurement_reflns_used    3925
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      28.73
_cell_measurement_theta_min      2.37
_cell_volume                     864.34(13)
_computing_cell_refinement       'Bruker SAINT 8.34a, 2013'
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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^)+(0.0490P)^2^+0.3519P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3405
_reflns_number_total             4088
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b04686_si_003.cif
_cod_data_source_block           cdv38
_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               4123800
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_shelx_res_checksum              14279
_shelx_hkl_checksum              43240