Crystallography Open Database

Information card for entry 7132648

Preview

Coordinates	7132648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H27 N3 O S
Calculated formula	C39 H27 N3 O S
Title of publication	Sulphur-induced structural rearrangement in the self-sensitization photo-oxidation behaviour of phenothiazine-imidazole molecules.
Authors of publication	Chen, Jianai; Wang, Haiyang; Yu, Yue; Liu, Jin; Zhao, Fengyi; Li, Weijun; Dong, Yujie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	14
Pages of publication	1888 - 1891
a	17.993 ± 0.006 Å
b	17.184 ± 0.005 Å
c	9.741 ± 0.003 Å
α	90°
β	103.718 ± 0.006°
γ	90°
Cell volume	2925.9 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1125
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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