Crystallography Open Database

Information card for entry 7157143

Preview

Coordinates	7157143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Br2 N6 O6
Calculated formula	C36 H32 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	15.516 ± 0.005 Å
b	9.876 ± 0.004 Å
c	23.035 ± 0.007 Å
α	90°
β	104.61 ± 0.02°
γ	90°
Cell volume	3416 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
225105 (current)	2019-11-08	cif/ Updating files of 7157142, 7157143, 7157144 Original log message: Adding full bibliography for 7157142--7157144.cif.	7157143.cif
219173	2019-10-09	cif/ Adding structures of 7157142, 7157143, 7157144 via cif-deposit CGI script.	7157143.cif