Crystallography Open Database

Information card for entry 4518500

Preview

Coordinates	4518500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H68 N4 O8
Calculated formula	C81 H68 N4 O8
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	13.8322 ± 0.0004 Å
b	14.8314 ± 0.0005 Å
c	17.2503 ± 0.0006 Å
α	86.082 ± 0.001°
β	70.408 ± 0.001°
γ	80.111 ± 0.001°
Cell volume	3284.27 ± 0.19 Å³
Cell temperature	308 ± 2 K
Ambient diffraction temperature	308 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1305
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.2197
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
262442 (current)	2021-03-04	cif/ Updating files of 4518498, 4518499, 4518500 Original log message: Adding full bibliography for 4518498--4518500.cif.	4518500.cif
262078	2021-02-19	cif/ Adding structures of 4518500 via cif-deposit CGI script.	4518500.cif