Crystallography Open Database

Information card for entry 7126896

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Coordinates	7126896.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	griseofulvin
Formula	C17 H17 Cl O6
Calculated formula	C17 H17 Cl O6
Title of publication	A general method for cultivating single crystals from melt microdroplets.
Authors of publication	Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	69
Pages of publication	9950 - 9953
a	11.6345 ± 0.0002 Å
b	12.0011 ± 0.0003 Å
c	23.8695 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3332.82 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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