Crystallography Open Database

Information card for entry 7124712

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Coordinates	7124712.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(S)-Diisopropyl(2,2-dioxido-4-phenyl-3,4-dihydrobenzo[e][1,2,3]oxathiazin-4-yl)phosphonate
Formula	C19 H24 N O6 P S
Calculated formula	C19 H24 N O6 P S
Title of publication	Enantioselective synthesis of quaternary α-aminophosphonates by Pd-catalyzed arylation of cyclic α-ketiminophosphonates with arylboronic acids.
Authors of publication	Yan, Zhong; Wu, Bo; Gao, Xiang; Zhou, Yong-Gui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	72
Pages of publication	10882 - 10885
a	9.7393 ± 0.0012 Å
b	9.7393 ± 0.0012 Å
c	18.532 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1522.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0892
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

Version history

Revision	Date	Message	Files
234154 (current)	2019-11-23	cif/ Adding structures of 7124712 via cif-deposit CGI script.	7124712.cif