Crystallography Open Database

Information card for entry 7240055

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Coordinates	7240055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 N2 O4
Calculated formula	C20 H20 N2 O4
Title of publication	Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality
Authors of publication	Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.
Journal of publication	CrystEngComm
Year of publication	2020
a	5.6697 ± 0.0004 Å
b	10.5672 ± 0.0006 Å
c	15.5754 ± 0.001 Å
α	109.348 ± 0.001°
β	96.606 ± 0.001°
γ	91.607 ± 0.001°
Cell volume	872.44 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0389
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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