Crystallography Open Database

Information card for entry 7160507

Preview

Coordinates	7160507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 N O3
Calculated formula	C28 H27 N O3
Title of publication	Electrochemical regioselective reduction of α-keto amides with methanol as a hydrogen source.
Authors of publication	Zhang, Jin-Jin; Wang, Jing-Hong; Sang, Ya-Hui; Qin, Hai-Juan; Chen, Chao; Liu, Wei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	20
Pages of publication	4922 - 4926
a	9.36186 ± 0.00016 Å
b	16.38187 ± 0.0002 Å
c	15.377 ± 0.0003 Å
α	90°
β	102.909 ± 0.0017°
γ	90°
Cell volume	2298.69 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301147 (current)	2025-07-06	cif/ Updating files of 7160507 Original log message: Adding full bibliography for 7160507.cif.	7160507.cif
299334	2025-04-19	cif/ Adding structures of 7160507 via cif-deposit CGI script.	7160507.cif