Crystallography Open Database

Information card for entry 7156704

Preview

Coordinates	7156704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 N2 O2
Calculated formula	C34 H28 N2 O2
Title of publication	Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.
Authors of publication	Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	12
Pages of publication	3232 - 3238
a	10.4057 ± 0.0005 Å
b	10.8124 ± 0.0008 Å
c	13.1072 ± 0.0008 Å
α	103.696 ± 0.006°
β	104.327 ± 0.005°
γ	102.121 ± 0.005°
Cell volume	1330.51 ± 0.16 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
225301 (current)	2019-11-08	cif/ Updating files of 7156702, 7156703, 7156704, 7156705 Original log message: Adding full bibliography for 7156702--7156705.cif.	7156704.cif
213872	2019-02-27	cif/ Adding structures of 7156702, 7156703, 7156704, 7156705 via cif-deposit CGI script.	7156704.cif