Crystallography Open Database

Information card for entry 1545285

Preview

Coordinates	1545285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 N O2
Calculated formula	C25 H21 N O2
SMILES	O[C@@]1(C(=O)C[C@H](c2ccccc2)c2c1n(c1c2cccc1)C)c1ccccc1
Title of publication	Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles.
Authors of publication	Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	5
Pages of publication	1120 - 1123
a	8.75219 ± 0.00016 Å
b	11.3668 ± 0.0002 Å
c	19.708 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1960.64 ± 0.06 Å³
Cell temperature	290.47 ± 0.1 K
Ambient diffraction temperature	290.47 ± 0.1 K
Number of distinct elements	4
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	0.0462
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
193632 (current)	2017-03-04	cif/ Updating files of 1545285, 1545286 Original log message: Adding full bibliography for 1545285--1545286.cif.	1545285.cif
192257	2017-02-18	cif/ Adding structures of 1545285 via cif-deposit CGI script.	1545285.cif