Crystallography Open Database

Information card for entry 7160133

Preview

Coordinates	7160133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 N2 O6
Calculated formula	C26 H28 N2 O6
Title of publication	Lewis base promoted [4 + 2] annulation of <i>o</i>-acylamino-aryl MBH carbonates with isatin.
Authors of publication	Shen, Li-Wen; Luo, Nian; Jia, Yun-Qing; Wang, Guang-Wei; Yuan, Shu-Pei; Xiang, Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	39
Pages of publication	7961 - 7964
a	8.2639 ± 0.0003 Å
b	23.4915 ± 0.0006 Å
c	13.1699 ± 0.0004 Å
α	90°
β	105.953 ± 0.003°
γ	90°
Cell volume	2458.23 ± 0.14 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296683 (current)	2024-12-06	cif/ Updating files of 7160133 Original log message: Adding full bibliography for 7160133.cif.	7160133.cif
294542	2024-09-06	cif/ Adding structures of 7160133 via cif-deposit CGI script.	7160133.cif