Crystallography Open Database

Information card for entry 7229169

Preview

Coordinates	7229169.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C18BiPhcage
Chemical name	C18BiPhcage
Formula	C66 H116 Si2
Calculated formula	C66 H114 Si2
SMILES	[Si]123c4ccc(cc4)c4ccc([Si](CCCCCCCCCCCCCCCCCC1)(CCCCCCCCCCCCCCCCCC2)CCCCCCCCCCCCCCCCCC3)cc4
Title of publication	A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence
Authors of publication	Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru
Journal of publication	CrystEngComm
Year of publication	2017
a	36.88 ± 0.03 Å
b	11.065 ± 0.008 Å
c	19.195 ± 0.013 Å
α	90°
β	121.141 ± 0.008°
γ	90°
Cell volume	6704 ± 9 Å³
Cell temperature	320 ± 2 K
Ambient diffraction temperature	320 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.3692
Residual factor for significantly intense reflections	0.1291
Weighted residual factors for significantly intense reflections	0.3138
Weighted residual factors for all reflections included in the refinement	0.4925
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
200912 (current)	2017-09-15	cif/ Adding structures of 7229169, 7229170, 7229171 via cif-deposit CGI script.	7229169.cif