Crystallography Open Database

Information card for entry 1555191

Preview

Coordinates	1555191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 N O3 S
Calculated formula	C25 H23 N O3 S
SMILES	S(=O)(=O)(N1[C@@]2(Oc3c([C@@H]([C@H]2C)C=C1)cccc3)c1ccccc1)c1ccc(cc1)C
Title of publication	Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals
Authors of publication	Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	22
Pages of publication	3725
a	8.784 ± 0.003 Å
b	9.976 ± 0.003 Å
c	12.349 ± 0.004 Å
α	90°
β	90.656 ± 0.005°
γ	90°
Cell volume	1082.1 ± 0.6 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
238378 (current)	2019-11-24	cif/ Adding structures of 1555189, 1555190, 1555191 via cif-deposit CGI script.	1555191.cif