Crystallography Open Database

Information card for entry 7159151

Preview

Coordinates	7159151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 N O
Calculated formula	C25 H21 N O
SMILES	O=C(c1nc2c(cc1c1ccc(cc1)C)cc(cc2)C)c1ccc(cc1)C
Title of publication	Aniline assisted dimerization of phenylalanines: convenient synthesis of 2-aroyl-3-arylquinoline in an I<sub>2</sub>-DMSO system.
Authors of publication	Ma, Jin-Tian; Chen, Ting; Chen, Xiang-Long; Zhou, You; Yu, Zhi-Cheng; Zhuang, Shi-Yi; Wu, Yan-Dong; Xiang, Jia-Chen; Wu, An-Xin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	10
Pages of publication	2091 - 2095
a	8.2419 ± 0.0015 Å
b	10.5399 ± 0.0019 Å
c	11.222 ± 0.002 Å
α	99.154 ± 0.003°
β	93.011 ± 0.003°
γ	102.359 ± 0.003°
Cell volume	936.3 ± 0.3 Å³
Cell temperature	296 ± 1 K
Ambient diffraction temperature	296 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
283435 (current)	2023-05-05	cif/ Updating files of 7159151 Original log message: Adding full bibliography for 7159151.cif.	7159151.cif
281028	2023-02-20	cif/ Adding structures of 7159151 via cif-deposit CGI script.	7159151.cif