Crystallography Open Database

Information card for entry 1558859

Preview

Coordinates	1558859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H78
Calculated formula	C132 H78
SMILES	C123c4cc(ccc4c4ccccc14)c1cc4C5(c6c(c4cc1)cccc6)c1cc(ccc1c1ccccc51)c1cc4C5(c6c(c4cc1)cccc6)c1cc(ccc1c1ccccc51)c1cc4C5(c6c(c4cc1)cccc6)c1cc(ccc1c1ccccc51)c1cc4C5(c6c(c4cc1)cccc6)c1cc(c4cc2c(cc4)c2ccccc32)ccc1c1ccccc51.c1(ccccc1)C
Title of publication	Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns
Authors of publication	Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru
Journal of publication	Chemical Science
Year of publication	2020
a	23.1826 ± 0.0001 Å
b	23.1826 ± 0.0001 Å
c	44.5679 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	23952.3 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	2
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.1963
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
255331 (current)	2020-08-15	cif/ Adding structures of 1558857, 1558858, 1558859 via cif-deposit CGI script.	1558859.cif