Crystallography Open Database

Information card for entry 7130286

Preview

Coordinates	7130286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N2 O3
Calculated formula	C21 H20 N2 O3
SMILES	O=N(=O)[C@]12CN(CC=C1)Cc1ccccc1[C@H]2CC(=O)c1ccccc1.O=N(=O)[C@@]12CN(CC=C1)Cc1ccccc1[C@@H]2CC(=O)c1ccccc1
Title of publication	Diastereoselective construction of bridged piperidines through an interrupted dearomative reduction
Authors of publication	Han, Huabin; Wang, Lele; Niu, Xinyue; Li, Chaoyang; Xu, Yuanqing; Wang, Qilin
Journal of publication	Chemical Communications
Year of publication	2022
a	22.6978 ± 0.0005 Å
b	7.32067 ± 0.00011 Å
c	12.3466 ± 0.0003 Å
α	90°
β	121.241 ± 0.003°
γ	90°
Cell volume	1754.06 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
276293 (current)	2022-06-28	cif/ Adding structures of 7130286, 7130287, 7130288 via cif-deposit CGI script.	7130286.cif