Crystallography Open Database

Information card for entry 4513706

Preview

Coordinates	4513706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 N2 O7
Calculated formula	C23 H30 N2 O7
Title of publication	Chiral Resolution ofRS-Praziquantel via Diastereomeric Co-Crystal Pair Formation withl-Malic Acid
Authors of publication	Sánchez-Guadarrama, Obdulia; Mendoza-Navarro, Fabiola; Cedillo-Cruz, Alberto; Jung-Cook, Helgi; Arenas-García, Jenniffer I.; Delgado-Díaz, Alejandra; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert
Journal of publication	Crystal Growth & Design
Year of publication	2016
Journal volume	16
Journal issue	1
Pages of publication	307
a	10.0451 ± 0.0005 Å
b	8.6712 ± 0.0005 Å
c	12.9992 ± 0.0007 Å
α	90°
β	102.513 ± 0.006°
γ	90°
Cell volume	1105.38 ± 0.11 Å³
Cell temperature	294.9 ± 0.3 K
Ambient diffraction temperature	294.9 ± 0.3 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175772 (current)	2016-02-04	cif/ Updating files of 4513706, 4513707 Original log message: Adding full bibliography for 4513706--4513707.cif.	4513706.cif
170540	2015-11-26	cif/ Adding structures of 4513706 via cif-deposit CGI script.	4513706.cif