Crystallography Open Database

Information card for entry 7240679

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Structure parameters

Formula	C29 H21 Cl N2 O
Calculated formula	C29 H21 Cl N2 O
SMILES	Clc1ccc2c(C(=C(c3ccccc3)C32Nc2c(N(C3=O)C)cccc2)c2ccccc2)c1
Title of publication	Rh(iii)-catalyzed spiroannulation of 3-arylquinoxalin-2(1H)-ones with alkynes: practical access to spiroquinoxalinones
Authors of publication	Zhang, Yuanfei; Huang, Ting; Li, Xinghua; Zhang, Min; Song, Ying; Huang, Kelin; Su, Weiping
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	37
Pages of publication	22216 - 22221
a	23.099 ± 0.007 Å
b	10.57 ± 0.003 Å
c	9.121 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2227 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1216
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240679.cif
257979	2020-10-06	cif/ Updating files of 7240679 Original log message: Adding full bibliography for 7240679.cif.	7240679.cif
253088	2020-06-11	cif/ Adding structures of 7240679 via cif-deposit CGI script.	7240679.cif