Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.
Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting; Chemical communications (Cambridge, England) 54 (2018) 358–361; doi:10.1039/c7cc07744k

data_7120944
_publ_section_title
;
 Polymorphism of griseofulvin: concomitant crystallization from the melt
 and a single crystal structure of a metastable polymorph with anomalously
 large thermal expansion.
;
_journal_issue                   4
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              358
_journal_page_last               361
_journal_paper_doi               10.1039/c7cc07744k
_journal_volume                  54
_journal_year                    2018
_chemical_absolute_configuration ad
_chemical_formula_sum            'C17 H17 Cl N0 O6'
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_chemical_melting_point          486
_chemical_name_systematic        griseofulvin
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_space_group_name_H-M_alt        'P 21 21 21'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2017-11-10 deposited with the CCDC.
2017-12-01 downloaded from the CCDC.
;
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_exptl_crystal_recrystallization_method 'From the Melt'
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;
 Flack x determined using 2975 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.056(18)
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0363P)^2^+1.8841P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7120941--7120946.cif.'
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