Crystallography Open Database

Information card for entry 7158010

Preview

Coordinates	7158010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 N O3
Calculated formula	C27 H19 N O3
Title of publication	Stereoselective synthesis of 2-spirocyclopropyl-indolin-3-ones through cyclopropanation of aza-aurones with tosylhydrazones.
Authors of publication	Pirovano, Valentina; Brambilla, Elisa; Riva, Marika; Leoni, Sara; Rizzato, Silvia; Garanzini, Davide; Abbiati, Giorgio; Rossi, Elisabetta
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	17
Pages of publication	3925 - 3931
a	10.301 ± 0.002 Å
b	6.87 ± 0.001 Å
c	29.971 ± 0.006 Å
α	90°
β	97.272 ± 0.003°
γ	90°
Cell volume	2103.9 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0842
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
266154 (current)	2021-06-05	cif/ Updating files of 7158010 Original log message: Adding full bibliography for 7158010.cif.	7158010.cif
263935	2021-04-07	cif/ Adding structures of 7158010 via cif-deposit CGI script.	7158010.cif