Crystallography Open Database

Information card for entry 7239706

Preview

Coordinates	7239706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 N2 O8
Calculated formula	C18 H36 N2 O8
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	11.5328 ± 0.001 Å
b	6.1123 ± 0.0005 Å
c	16.0138 ± 0.0014 Å
α	90°
β	99.78 ± 0.009°
γ	90°
Cell volume	1112.44 ± 0.17 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0427
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	7239706.cif
247685	2020-02-04	cif/ Updating files of 7239704, 7239705, 7239706, 7239707 Original log message: Adding full bibliography for 7239704--7239707.cif.	7239706.cif
246370	2020-01-01	cif/ Adding structures of 7239704, 7239705, 7239706, 7239707 via cif-deposit CGI script.	7239706.cif