Crystallography Open Database

Information card for entry 7157144

Preview

Coordinates	7157144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H45 Br2 N6 O6
Calculated formula	C46 H45 Br2 N6 O6
Title of publication	Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.
Authors of publication	Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	42
Pages of publication	9390 - 9402
a	24.8162 ± 0.0005 Å
b	11.0757 ± 0.0002 Å
c	34.2851 ± 0.0007 Å
α	90°
β	100.28 ± 0.002°
γ	90°
Cell volume	9272.2 ± 0.3 Å³
Cell temperature	100.03 ± 0.11 K
Ambient diffraction temperature	100.03 ± 0.11 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1653
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225105 (current)	2019-11-08	cif/ Updating files of 7157142, 7157143, 7157144 Original log message: Adding full bibliography for 7157142--7157144.cif.	7157144.cif
219173	2019-10-09	cif/ Adding structures of 7157142, 7157143, 7157144 via cif-deposit CGI script.	7157144.cif