Crystallography Open Database

Information card for entry 8000323

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Structure parameters

Formula	C14 H14
Calculated formula	C14 H14
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	7.7534 ± 0.0014 Å
b	6.1617 ± 0.001 Å
c	11.687 ± 0.0017 Å
α	90°
β	100.352 ± 0.015°
γ	90°
Cell volume	549.25 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	2
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	0.1153
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1753
Weighted residual factors for all reflections included in the refinement	0.2212
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8000323.cif
223433	2019-11-07	cif/ Adding structures of 8000323 via cif-deposit CGI script.	8000323.cif