Crystallography Open Database

Information card for entry 7156929

Preview

Coordinates	7156929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H35.51 N5 O7 S
Calculated formula	C34 H35.5 N5 O7 S
Title of publication	Regio- and stereoselective [3 + 2] cycloaddition reaction: access to isoxazole-dispirobisoxindoles featuring three contiguous stereocenters.
Authors of publication	Chen, Shuang; Wang, Guan-Lian; Xu, Sheng-Wen; Tian, Min-Yi; Zhang, Min; Liu, Xiong-Li; Yuan, Wei-Cheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	27
Pages of publication	6551 - 6556
a	10.6941 ± 0.0001 Å
b	16.3625 ± 0.0002 Å
c	18.2683 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3196.63 ± 0.06 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
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	0.039
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225067 (current)	2019-11-08	cif/ Updating files of 7156929, 7156930 Original log message: Adding full bibliography for 7156929--7156930.cif.	7156929.cif
216489	2019-06-22	cif/ Adding structures of 7156929, 7156930 via cif-deposit CGI script.	7156929.cif