Crystallography Open Database

Information card for entry 4130580

Preview

Coordinates	4130580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H22 O
Calculated formula	C73 H22 O
Title of publication	Formation of Curvature Subunit of Carbon in Combustion.
Authors of publication	Wu, Xin-Zhou; Yao, Yang-Rong; Chen, Miao-Miao; Tian, Han-Rui; Xiao, Jun; Xu, Yun-Yan; Lin, Min-Song; Abella, Laura; Tian, Cheng-Bo; Gao, Cong-Li; Zhang, Qianyan; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	30
Pages of publication	9629 - 9633
a	9.9746 ± 0.0011 Å
b	23.085 ± 0.003 Å
c	16.7399 ± 0.0019 Å
α	90°
β	90.299 ± 0.011°
γ	90°
Cell volume	3854.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1772
Residual factor for significantly intense reflections	0.0924
Weighted residual factors for significantly intense reflections	0.2336
Weighted residual factors for all reflections included in the refinement	0.3086
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
240980 (current)	2019-11-25	cif/ Adding structures of 4130580 via cif-deposit CGI script.	4130580.cif