Crystallography Open Database

Information card for entry 7157713

Preview

Coordinates	7157713.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	isoindoloquinazolinone
Chemical name	ethyl 12-hydroxy-4-methyl-10-oxo-10,12-dihydroisoindolo[1,2-b]quinazoline-12-carboxylate
Formula	C19 H16 N2 O4
Calculated formula	C19 H16 N2 O4
Title of publication	Ru(ii)-Catalyzed C-H addition and oxidative cyclization of 2-aryl quinazolinones with activated aldehydes.
Authors of publication	Choi, Jin Ho; Kim, Kunyoung; Oh, Harin; Han, Sangil; Mishra, Neeraj Kumar; Kim, In Su
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	47
Pages of publication	9611 - 9622
a	7.6762 ± 0.0001 Å
b	12.3159 ± 0.0002 Å
c	17.1409 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1620.49 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
260818 (current)	2021-01-07	cif/ Updating files of 7157713 Original log message: Adding full bibliography for 7157713.cif.	7157713.cif
256644	2020-09-23	cif/ Adding structures of 7157713 via cif-deposit CGI script.	7157713.cif