Crystallography Open Database

Information card for entry 7157345

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Structure parameters

Formula	C21 H23 N O
Calculated formula	C21 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	20.236 ± 0.012 Å
b	5.793 ± 0.003 Å
c	14.906 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1747.4 ± 1.7 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7157345.cif
249023	2020-03-05	cif/ Updating files of 7157345, 7157346 Original log message: Adding full bibliography for 7157345--7157346.cif.	7157345.cif
247907	2020-02-06	cif/ Adding structures of 7157345, 7157346 via cif-deposit CGI script.	7157345.cif