Crystallography Open Database

Information card for entry 4513550

Preview

Coordinates	4513550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 Cl O4
Calculated formula	C20 H21 Cl O4
SMILES	Clc1ccc(cc1)C(=O)c1ccc(OC(C(=O)OC(C)C)(C)C)cc1
Title of publication	A New Low Melting-Point Polymorph of Fenofibrate Prepared via Talc Induced Heterogeneous Nucleation
Authors of publication	Tipduangta, Pratchaya; Takieddin, Khaled; Fábián, László; Belton, Peter; Qi, Sheng
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	10
Pages of publication	5011
a	9.4803 ± 0.0006 Å
b	9.7605 ± 0.0006 Å
c	10.9327 ± 0.0008 Å
α	110.84 ± 0.006°
β	90.352 ± 0.005°
γ	99.701 ± 0.005°
Cell volume	929.53 ± 0.11 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1217
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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