Crystallography Open Database

Information card for entry 7158109

Preview

Coordinates	7158109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 Br N O5
Calculated formula	C28 H24 Br N O5
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	7.217 ± 0.0007 Å
b	15.068 ± 0.0014 Å
c	23.762 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2584 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 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	0.0589
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
268941 (current)	2021-09-06	cif/ Updating files of 7158108, 7158109 Original log message: Adding full bibliography for 7158108--7158109.cif.	7158109.cif
265696	2021-06-03	cif/ Adding structures of 7158108, 7158109 via cif-deposit CGI script.	7158109.cif