Crystallography Open Database

Information card for entry 7128200

Preview

Coordinates	7128200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 N O
Calculated formula	C16 H19 N O
SMILES	N1(=O)=C(c2ccccc2)C([C@H]2[C@@H]1C=CCC2)(C)C
Title of publication	External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with O-benzoylhydroxylamines.
Authors of publication	Chen, Jiangfei; Zhu, Yan-Ping; Li, Jin-Heng; Wang, Qiu-An
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	42
Pages of publication	5215 - 5218
a	7.059 ± 0.008 Å
b	19.92 ± 0.02 Å
c	9.454 ± 0.011 Å
α	90°
β	91.125 ± 0.012°
γ	90°
Cell volume	1329 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1885
Residual factor for significantly intense reflections	0.1241
Weighted residual factors for significantly intense reflections	0.3191
Weighted residual factors for all reflections included in the refinement	0.3636
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
265868 (current)	2021-06-05	cif/ Updating files of 7128200, 7128201 Original log message: Adding full bibliography for 7128200--7128201.cif.	7128200.cif
264341	2021-04-21	cif/ Adding structures of 7128200, 7128201 via cif-deposit CGI script.	7128200.cif