Crystallography Open Database

Information card for entry 7226176

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Structure parameters

Chemical name	methyl 3,4,4-trimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline-7-carboxylate
Formula	C15 H17 N3 O2
Calculated formula	C15 H17 N3 O2
SMILES	O(C)C(=O)c1cc2NC(c3n(c2cc1)cnc3C)(C)C
Title of publication	Regioselective Synthesis of Imidazo[1,5-a]quinoxalines and Methyl N-Phenylbenzimidats on Ionic Liquid Support
Authors of publication	Chen, Li-Hsun; Kao, Chih-Hsien; DHOLE, SANDIP; Barve, Indrajeet; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming
Journal of publication	RSC Adv.
Year of publication	2016
a	8.2166 ± 0.0006 Å
b	15.0686 ± 0.001 Å
c	22.6298 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2801.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226176.cif
185051	2016-08-06	cif/ Adding structures of 7226176, 7226177 via cif-deposit CGI script.	7226176.cif