Crystallography Open Database

Information card for entry 7157361

Preview

Coordinates	7157361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N2 O3 S
Calculated formula	C24 H20 N2 O3 S
SMILES	S(=O)(=O)(N1N=C(CC21C(=O)c1ccccc1C2)c1ccccc1)c1ccc(cc1)C
Title of publication	[4 + 1] annulation reaction of cyclic pyridinium ylides with in situ generated azoalkenes for the construction of spirocyclic skeletons.
Authors of publication	Quan, Bao-Xue; Zhuo, Jun-Rui; Zhao, Jian-Qiang; Zhang, Ming-Liang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Yuan, Wei-Cheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	10
Pages of publication	1886 - 1891
a	11.3284 ± 0.0005 Å
b	8.7436 ± 0.0006 Å
c	20.6742 ± 0.0009 Å
α	90°
β	96.103 ± 0.004°
γ	90°
Cell volume	2036.19 ± 0.19 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	0.0669
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
250362 (current)	2020-04-05	cif/ Updating files of 7157360, 7157361 Original log message: Adding full bibliography for 7157360--7157361.cif.	7157361.cif
248362	2020-02-21	cif/ Adding structures of 7157360, 7157361 via cif-deposit CGI script.	7157361.cif