Crystallography Open Database

Information card for entry 7230148

Preview

Coordinates	7230148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H37 F2 N2 S2
Calculated formula	C32 H38 F2 N2 S2
Title of publication	Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines
Authors of publication	Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	12
Pages of publication	1669
a	4.8908 ± 0.0001 Å
b	37.3867 ± 0.0009 Å
c	15.8515 ± 0.0004 Å
α	90°
β	95.896 ± 0.001°
γ	90°
Cell volume	2883.13 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.6229 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229156 (current)	2019-11-17	cif/ Updating files of 7230145, 7230146, 7230147, 7230148 Original log message: Adding full bibliography for 7230145--7230148.cif.	7230148.cif
206409	2018-02-14	cif/ Adding structures of 7230145, 7230146, 7230147, 7230148 via cif-deposit CGI script.	7230148.cif