Crystallography Open Database

Information card for entry 7123590

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Structure parameters

Formula	C22 H18 F N3
Calculated formula	C22 H18 F N3
Title of publication	Rhodium(III)-catalyzed tunable coupling reaction of indole derivatives with alkylidenecyclopropanes via C−H activation
Authors of publication	Shi, Min; Liu, Ruixing; Wei, Yin
Journal of publication	Chemical Communications
Year of publication	2019
a	10.944 ± 0.003 Å
b	15.225 ± 0.004 Å
c	22.273 ± 0.007 Å
α	90°
β	102.963 ± 0.008°
γ	90°
Cell volume	3616.6 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1199
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1655
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7123590.cif
215689	2019-06-05	cif/ Adding structures of 7123589, 7123590 via cif-deposit CGI script.	7123590.cif