Crystallography Open Database

Information card for entry 7157070

Preview

Coordinates	7157070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H42 Cl2 N2 O4 P2
Calculated formula	C31 H42 Cl2 N2 O4 P2
Title of publication	P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.
Authors of publication	Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	38
Pages of publication	8690 - 8694
a	10.7127 ± 0.0002 Å
b	10.7127 ± 0.0002 Å
c	27.9476 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3207.32 ± 0.11 Å³
Cell temperature	253 ± 0.1 K
Ambient diffraction temperature	253 ± 0.1 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225295 (current)	2019-11-08	cif/ Updating files of 7157067, 7157068, 7157069, 7157070 Original log message: Adding full bibliography for 7157067--7157070.cif.	7157070.cif
218204	2019-09-12	cif/ Adding structures of 7157067, 7157068, 7157069, 7157070 via cif-deposit CGI script.	7157070.cif