Crystallography Open Database

Information card for entry 7240591

Preview

Coordinates	7240591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N O4
Calculated formula	C27 H23 N O4
SMILES	O=C1N(c2cc(OC)ccc2)C2CC(CC(=O)C=2C(=O)c2cccc3cccc1c23)(C)C
Title of publication	Metal-free syntheses of new azocines via addition reactions of enaminones with acenaphthoquinone followed by oxidative cleavages of the corresponding vicinal diols
Authors of publication	Mousavi, S. Hekmat; Mohammadizadeh, Mohammad Reza; Arimitsu, Satoru; Saberi, Dariush; Poorsadeghi, Samira; Genta, Kojya
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	35
Pages of publication	20552 - 20557
a	11.4024 ± 0.0002 Å
b	11.021 ± 0.0003 Å
c	17.2462 ± 0.0003 Å
α	90°
β	90.347 ± 0.002°
γ	90°
Cell volume	2167.22 ± 0.08 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
258127 (current)	2020-10-06	cif/ Updating files of 7240591 Original log message: Adding full bibliography for 7240591.cif.	7240591.cif
252476	2020-05-30	cif/ Adding structures of 7240591 via cif-deposit CGI script.	7240591.cif