Crystallography Open Database

Information card for entry 1555773

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Structure parameters

Formula	C28 H25 N O2
Calculated formula	C28 H25 N O2
SMILES	N1([C@](c2oc(c(c2)C(=O)C)C)([C@H]1c1ccccc1)c1ccccc1)c1cc(ccc1)C.N1([C@@](c2oc(c(c2)C(=O)C)C)([C@@H]1c1ccccc1)c1ccccc1)c1cc(ccc1)C
Title of publication	A Route to Polysubstituted Aziridines from Carbenes and Imines through a Nondiazo Approach.
Authors of publication	Luo, Hejiang; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	20
Pages of publication	5208 - 5211
a	9.92 ± 0.002 Å
b	11.199 ± 0.002 Å
c	12.122 ± 0.002 Å
α	64.365 ± 0.004°
β	68.38 ± 0.004°
γ	81.92 ± 0.004°
Cell volume	1128.4 ± 0.4 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	0.0754
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1555773.cif
239103	2019-11-24	cif/ Adding structures of 1555773 via cif-deposit CGI script.	1555773.cif