Crystallography Open Database

Information card for entry 7157924

Preview

Coordinates	7157924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N2 O
Calculated formula	C16 H14 N2 O
Title of publication	Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.
Authors of publication	Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	14
Pages of publication	3191 - 3198
a	11.4303 ± 0.0007 Å
b	23.178 ± 0.0016 Å
c	10.3616 ± 0.0008 Å
α	90°
β	91.78 ± 0.006°
γ	90°
Cell volume	2743.8 ± 0.3 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	0.0857
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.2014
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation probe	x-ray
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
264951 (current)	2021-05-05	cif/ Updating files of 7157924, 7157925 Original log message: Adding full bibliography for 7157924--7157925.cif.	7157924.cif
262455	2021-03-04	cif/ Adding structures of 7157924, 7157925 via cif-deposit CGI script.	7157924.cif