Crystallography Open Database

Information card for entry 1542891

Preview

Coordinates	1542891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 N2 O
Calculated formula	C23 H18 N2 O
SMILES	c1ccccc1C(=O)c1n(c(cn1)c1ccccc1)c1ccc(cc1)C
Title of publication	Dual Roles of Methyl Ketones in Radziszewski-Type Reaction: Formal [2 + 1 + 1 + 1] Synthesis of 1,2,5-Trisubstituted Imidazoles.
Authors of publication	Zhang, Jingjing; Gao, Qinghe; Wu, Xia; Geng, Xiao; Wu, Yan-Dong; Wu, Anxin
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	7
Pages of publication	1686 - 1689
a	9.556 ± 0.009 Å
b	10.061 ± 0.01 Å
c	10.958 ± 0.01 Å
α	73.61 ± 0.02°
β	65.525 ± 0.016°
γ	68.71 ± 0.02°
Cell volume	882.6 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0436
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
181448 (current)	2016-04-04	cif/ Updating files of 1542891 Original log message: Adding full bibliography for 1542891.cif.	1542891.cif
178265	2016-03-18	cif/ Adding structures of 1542891 via cif-deposit CGI script.	1542891.cif