Crystallography Open Database

Information card for entry 7231900

7231899 << 7231900 >> 7231901

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Coordinates	7231900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Br N O
Calculated formula	C17 H14 Br N O
Title of publication	Highly stereoselective spirocyclopropanation of various diazooxindoles with olefins catalyzed using Ru(ii)-complex
Authors of publication	Tone, Masaya; Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Shibatomi, Kazutaka; Iwasa, Seiji
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	70
Pages of publication	39865
a	6.0888 ± 0.0008 Å
b	12.5645 ± 0.0017 Å
c	17.867 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1366.9 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0228
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.0488
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
212240 (current)	2018-11-29	cif/ Adding structures of 7231900 via cif-deposit CGI script.	7231900.cif