Crystallography Open Database

Information card for entry 1555190

Preview

Coordinates	1555190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N O4 S
Calculated formula	C25 H25 N O4 S
SMILES	S(=O)(=O)(N[C@@H]1Oc2c([C@@H](CC(=O)c3ccc(cc3)C)C1)cccc2)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	26.476 ± 0.004 Å
b	9.6581 ± 0.0015 Å
c	9.1391 ± 0.0014 Å
α	90°
β	98.974 ± 0.003°
γ	90°
Cell volume	2308.3 ± 0.6 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	1555190.cif