Crystallography Open Database

Information card for entry 7156725

Preview

Coordinates	7156725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N O3 S
Calculated formula	C18 H15 N O3 S
Title of publication	Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.
Authors of publication	Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	13
Pages of publication	3451 - 3461
a	13.1858 ± 0.0004 Å
b	8.0088 ± 0.0002 Å
c	15.5088 ± 0.0004 Å
α	90°
β	107.498 ± 0.003°
γ	90°
Cell volume	1561.98 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0955
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1623
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
225200 (current)	2019-11-08	cif/ Updating files of 7156724, 7156725, 7156726 Original log message: Adding full bibliography for 7156724--7156726.cif.	7156725.cif
214046	2019-03-08	cif/ Adding structures of 7156724, 7156725, 7156726 via cif-deposit CGI script.	7156725.cif