Crystallography Open Database

Information card for entry 7157516

Preview

Coordinates	7157516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 Br N O3
Calculated formula	C25 H20 Br N O3
Title of publication	P(NMe<sub>2</sub>)<sub>3</sub> mediated cyclopropanation of α-methylene-β-lactams for rapid syntheses of spirocyclopropyl β-lactams.
Authors of publication	Luo, Si-Qin; Liu, Wei; Ruan, Ban-Feng; Fan, Shi-Lu; Zhu, Hui-Xia; Tao, Wei; Xiao, Hua
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	24
Pages of publication	4599 - 4603
a	9.6348 ± 0.0005 Å
b	10.2842 ± 0.0005 Å
c	11.504 ± 0.0005 Å
α	103.149 ± 0.004°
β	104.108 ± 0.004°
γ	94.618 ± 0.004°
Cell volume	1065.31 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
253971 (current)	2020-07-06	cif/ Updating files of 7157515, 7157516 Original log message: Adding full bibliography for 7157515--7157516.cif.	7157516.cif
252369	2020-05-27	cif/ Adding structures of 7157515, 7157516 via cif-deposit CGI script.	7157516.cif