Crystallography Open Database

Information card for entry 7240319

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Coordinates	7240319.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	L-malic acid nicotinamide
Chemical name	(R)-2-hydroxysuccinic acid nicotinamide
Formula	C16 H18 N4 O7
Calculated formula	C16 H18 N4 O7
Title of publication	Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals
Authors of publication	Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack
Journal of publication	CrystEngComm
Year of publication	2020
a	4.7631 ± 0.0002 Å
b	8.8253 ± 0.0004 Å
c	10.662 ± 0.0005 Å
α	96.829 ± 0.003°
β	95.279 ± 0.003°
γ	105.603 ± 0.003°
Cell volume	424.99 ± 0.03 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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