Crystallography Open Database

Information card for entry 1569389

Preview

Coordinates	1569389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O
Calculated formula	C19 H17 N O
SMILES	O=C1[C@@](c2[nH]c3c(c2C1)cccc3)(Cc1ccccc1)C
Title of publication	Catalytic asymmetric indolization by a desymmetrizing [3 + 2] annulation strategy.
Authors of publication	Wu, Changhui; Chang, Zhiqian; Peng, Chuanyong; Bai, Chen; Xing, Junhao; Dou, Xiaowei
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	29
Pages of publication	7980 - 7987
a	9.1061 ± 0.0002 Å
b	12.0634 ± 0.0002 Å
c	14.0083 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1538.82 ± 0.05 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0339
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286029 (current)	2023-09-05	cif/ Updating files of 1569389 Original log message: Adding full bibliography for 1569389.cif.	1569389.cif
284718	2023-06-30	cif/ Adding structures of 1569389 via cif-deposit CGI script.	1569389.cif