Crystallography Open Database

Information card for entry 7123566

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Structure parameters

Formula	C23 H17 N O
Calculated formula	C23 H17 N O
Title of publication	Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues
Authors of publication	Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong
Journal of publication	Chemical Communications
Year of publication	2019
a	4.9223 ± 0.0004 Å
b	15.5634 ± 0.0007 Å
c	41.9514 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3213.8 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0692
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1742
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7123566.cif
215592	2019-05-30	cif/ Adding structures of 7123561, 7123562, 7123563, 7123564, 7123565, 7123566, 7123567 via cif-deposit CGI script.	7123566.cif