Crystallography Open Database

Information card for entry 8000324

Preview

Coordinates	8000324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26
Calculated formula	C20 H26
Title of publication	Visualization and Manipulation of Molecular Motion in the Solid State through Photoinduced Clusteroluminescence.
Authors of publication	Zhang, Haoke; Du, Lili; Wang, Lin; Liu, Junkai; Wan, Qing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Phillips, David Lee; Tang, Ben Zhong
Journal of publication	The journal of physical chemistry letters
Year of publication	2019
Pages of publication	7077 - 7085
a	5.5945 ± 0.0006 Å
b	6.5367 ± 0.0005 Å
c	11.7666 ± 0.0009 Å
α	102.817 ± 0.007°
β	100.053 ± 0.008°
γ	102.883 ± 0.008°
Cell volume	397.49 ± 0.07 Å³
Cell temperature	199.99 ± 0.11 K
Ambient diffraction temperature	199.99 ± 0.11 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
223434 (current)	2019-11-07	cif/ Adding structures of 8000324 via cif-deposit CGI script.	8000324.cif