Crystallography Open Database

Information card for entry 7239705

Preview

Coordinates	7239705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H18 N O4
Calculated formula	C9 H18 N O4
Title of publication	Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility
Authors of publication	Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	3
Pages of publication	412 - 415
a	11.725 ± 0.001 Å
b	6.1271 ± 0.0004 Å
c	16.0527 ± 0.0015 Å
α	90°
β	99.628 ± 0.009°
γ	90°
Cell volume	1136.99 ± 0.16 Å³
Cell temperature	294 ± 0.3 K
Ambient diffraction temperature	294 ± 0.3 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257489 (current)	2020-10-06	cif/ Updating files of 7239704, 7239705, 7239706, 7239707 Original log message: Adding full bibliography for 7239704--7239707.cif.	7239705.cif
247685	2020-02-04	cif/ Updating files of 7239704, 7239705, 7239706, 7239707 Original log message: Adding full bibliography for 7239704--7239707.cif.	7239705.cif
246370	2020-01-01	cif/ Adding structures of 7239704, 7239705, 7239706, 7239707 via cif-deposit CGI script.	7239705.cif