Crystallography Open Database

Information card for entry 7159030

Preview

Coordinates	7159030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 N O2
Calculated formula	C24 H17 N O2
SMILES	O=C1[C@](Nc2ccccc12)(c1ccccc1)c1c(O)c2c(cccc2)cc1
Title of publication	Chiral phosphoric acid-catalyzed enantioselective aza-Friedel-Crafts reaction of naphthols and electron-rich phenols with 2-aryl-3<i>H</i>-indol-3-ones.
Authors of publication	Ma, Tao; He, Yonghui; Qiao, Xiu-Xiu; Zou, Chang-Peng; Wu, Xi-Xi; Li, Ganpeng; Zhao, Xiao-Jing
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	3
Pages of publication	489 - 493
a	9.6357 ± 0.0006 Å
b	12.2218 ± 0.0008 Å
c	14.9472 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1760.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0335
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
283491 (current)	2023-05-05	cif/ Updating files of 7159030 Original log message: Adding full bibliography for 7159030.cif.	7159030.cif
279813	2022-12-09	cif/ Adding structures of 7159030 via cif-deposit CGI script.	7159030.cif