Crystallography Open Database

Information card for entry 7158108

Preview

Coordinates	7158108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Br N O4.5
Calculated formula	C32 H26 Br N O4.5
Title of publication	Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.
Authors of publication	Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	26
Pages of publication	5836 - 5843
a	7.179 ± 0.002 Å
b	15.131 ± 0.006 Å
c	26.209 ± 0.011 Å
α	90°
β	92.737 ± 0.016°
γ	90°
Cell volume	2843.7 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.1774
Residual factor for significantly intense reflections	0.134
Weighted residual factors for significantly intense reflections	0.3476
Weighted residual factors for all reflections included in the refinement	0.3844
Goodness-of-fit parameter for all reflections included in the refinement	1.399
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268941 (current)	2021-09-06	cif/ Updating files of 7158108, 7158109 Original log message: Adding full bibliography for 7158108--7158109.cif.	7158108.cif
265696	2021-06-03	cif/ Adding structures of 7158108, 7158109 via cif-deposit CGI script.	7158108.cif