Crystallography Open Database

Information card for entry 1555449

Preview

Coordinates	1555449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 O2
Calculated formula	C20 H30 O2
Title of publication	Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.
Authors of publication	Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	24
Pages of publication	6062 - 6065
a	20.0748 ± 0.0007 Å
b	6.8584 ± 0.0003 Å
c	25.9078 ± 0.0009 Å
α	90°
β	106.399 ± 0.001°
γ	90°
Cell volume	3421.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.2628
Weighted residual factors for all reflections included in the refinement	0.2745
Goodness-of-fit parameter for all reflections included in the refinement	1.387
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238694 (current)	2019-11-24	cif/ Adding structures of 1555449 via cif-deposit CGI script.	1555449.cif