Crystallography Open Database

Information card for entry 4518499

Preview

Coordinates	4518499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H141 Cl N8 O16
Calculated formula	C168 H141 Cl N8 O16
Title of publication	Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer
Authors of publication	Wang, Jie; Shi, Dong
Journal of publication	ACS Omega
Year of publication	2021
Journal volume	6
Journal issue	8
Pages of publication	5972 - 5980
a	13.1368 ± 0.001 Å
b	16.167 ± 0.0012 Å
c	16.9132 ± 0.0012 Å
α	75.115 ± 0.002°
β	85.626 ± 0.002°
γ	75.727 ± 0.003°
Cell volume	3364.1 ± 0.4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1782
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262442 (current)	2021-03-04	cif/ Updating files of 4518498, 4518499, 4518500 Original log message: Adding full bibliography for 4518498--4518500.cif.	4518499.cif
262076	2021-02-19	cif/ Adding structures of 4518499 via cif-deposit CGI script.	4518499.cif