Crystallography Open Database

Information card for entry 7233525

Preview

Coordinates	7233525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H80 F4 N12 O16
Calculated formula	C72 H80 F4 N12 O16
Title of publication	Polymorphism of levofloxacin: structure, properties and phase transformation
Authors of publication	Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	41
Pages of publication	6196
a	26.067 ± 0.005 Å
b	9.2924 ± 0.0019 Å
c	34.377 ± 0.007 Å
α	90°
β	94.22 ± 0.03°
γ	90°
Cell volume	8304 ± 3 Å³
Cell temperature	128.15 K
Ambient diffraction temperature	128.15 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1454
Residual factor for significantly intense reflections	0.1109
Weighted residual factors for significantly intense reflections	0.2776
Weighted residual factors for all reflections included in the refinement	0.3122
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
223511 (current)	2019-11-07	cif/ Updating files of 7233523, 7233524, 7233525 Original log message: Adding full bibliography for 7233523--7233525.cif.	7233525.cif
217803	2019-08-29	cif/ Adding structures of 7233523, 7233524, 7233525 via cif-deposit CGI script.	7233525.cif