Crystallography Open Database

Information card for entry 7131698

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Coordinates	7131698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 B10 N2 S2
Calculated formula	C38 H34 B10 N2 S2
Title of publication	Carborane based chalcogen-fused phenazines for visible light induced ATRP.
Authors of publication	Yang, Xiaodong; Li, Haishuang; Shao, Dong; He, Gang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	49
Pages of publication	7643 - 7646
a	10.207 ± 0.005 Å
b	13.006 ± 0.006 Å
c	13.541 ± 0.006 Å
α	94.16 ± 0.006°
β	90.439 ± 0.007°
γ	97.056 ± 0.006°
Cell volume	1779 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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