Crystallography Open Database

Information card for entry 7158009

Preview

Coordinates	7158009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.33 H18 N0.67 O2
Calculated formula	C21.3333 H18 N0.666667 O2
Title of publication	Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.
Authors of publication	Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	17
Pages of publication	3829 - 3833
a	10.602 ± 0.0003 Å
b	11.2205 ± 0.0003 Å
c	13.0016 ± 0.0002 Å
α	95.41 ± 0.002°
β	112.439 ± 0.002°
γ	115.598 ± 0.003°
Cell volume	1225.34 ± 0.07 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	0.0467
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266155 (current)	2021-06-05	cif/ Updating files of 7158008, 7158009 Original log message: Adding full bibliography for 7158008--7158009.cif.	7158009.cif
263889	2021-04-06	cif/ Adding structures of 7158008, 7158009 via cif-deposit CGI script.	7158009.cif