Crystallography Open Database

Information card for entry 7156993

Preview

Coordinates	7156993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H31 Br N2 O4 S
Calculated formula	C35 H31 Br N2 O4 S
Title of publication	Highly enantioselective addition of sulfur-containing heterocycles to isatin-derived ketimines.
Authors of publication	Franc, Michael; Urban, Michal; Císařová, Ivana; Veselý, Jan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	31
Pages of publication	7309 - 7314
a	7.2208 ± 0.0004 Å
b	16.3286 ± 0.0009 Å
c	27.1076 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3196.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0578
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7156993.html