Crystallography Open Database

Information card for entry 7157346

Preview

Coordinates	7157346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10.5 H10.5 N10.5 O10.5
Calculated formula	C29 H23 N O
Title of publication	I<sub>2</sub>/TBHP mediated diastereoselective synthesis of spiroaziridines.
Authors of publication	Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	8
Pages of publication	1588 - 1593
a	9.842 ± 0.004 Å
b	9.949 ± 0.004 Å
c	11.468 ± 0.005 Å
α	100.231 ± 0.006°
β	105.032 ± 0.006°
γ	95.125 ± 0.004°
Cell volume	1056.4 ± 0.8 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	0.093
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	0.658
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
249023 (current)	2020-03-05	cif/ Updating files of 7157345, 7157346 Original log message: Adding full bibliography for 7157345--7157346.cif.	7157346.cif
247907	2020-02-06	cif/ Adding structures of 7157345, 7157346 via cif-deposit CGI script.	7157346.cif