Crystallography Open Database

Information card for entry 7230147

Preview

Coordinates	7230147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 F2 N2 S2
Calculated formula	C26 H26 F2 N2 S2
SMILES	s1c2c(c3nc4c(nc3c3c2sc(c3)CCCCC)cc(F)c(F)c4)cc1CCCCC
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	18.3461 ± 0.0006 Å
b	5.0761 ± 0.0001 Å
c	25.1208 ± 0.0008 Å
α	90°
β	99.433 ± 0.001°
γ	90°
Cell volume	2307.78 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1938
Weighted residual factors for all reflections included in the refinement	0.1991
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.6229 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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