Crystallography Open Database

Information card for entry 7123595

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Structure parameters

Formula	C24 H19.9 N O0.45
Calculated formula	C24 H19.9 N O0.45
Title of publication	FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines
Authors of publication	Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng
Journal of publication	Chemical Communications
Year of publication	2019
a	9.2367 ± 0.0004 Å
b	10.2565 ± 0.0005 Å
c	11.0747 ± 0.0006 Å
α	104.851 ± 0.0017°
β	109.513 ± 0.0015°
γ	108.199 ± 0.0015°
Cell volume	859.89 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0598
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation probe	x-ray
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
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.	7123595.cif
215691	2019-06-05	cif/ Adding structures of 7123595, 7123596, 7123597, 7123598 via cif-deposit CGI script.	7123595.cif