Crystallography Open Database

Information card for entry 7059708

Preview

Coordinates	7059708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Cl6 F6 N S Sb
Calculated formula	C16 H11 Cl6 F6 N S Sb
Title of publication	Improved synthesis of N-ethyl-3,7-bis(trifluoromethyl)phenothiazine
Authors of publication	Ergun, Selin; Casselman, Matthew D.; Kaur, Aman Preet; Attanayake, N. Harsha; Parkin, Sean R.; Odom, Susan A.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	26
Pages of publication	11349 - 11355
a	9.7969 ± 0.0002 Å
b	26.2133 ± 0.0006 Å
c	10.1713 ± 0.0002 Å
α	90°
β	115.865 ± 0.0008°
γ	90°
Cell volume	2350.42 ± 0.09 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	7
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	0.0391
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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