Crystallography Open Database

Information card for entry 4031534

Preview

Coordinates	4031534.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C17Npcage
Formula	C61 H108 Si2
Calculated formula	C61 H108 Si2
Title of publication	1,4-Naphthalenediyl-Bridged Molecular Gyrotops: Rotation of the Rotor and Fluorescence in Solution.
Authors of publication	Nishiyama, Yohei; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	20
Pages of publication	9959 - 9966
a	13.028 ± 0.009 Å
b	18.089 ± 0.013 Å
c	25.708 ± 0.018 Å
α	74.702 ± 0.012°
β	83.371 ± 0.015°
γ	89.177 ± 0.015°
Cell volume	5804 ± 7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.5361
Residual factor for significantly intense reflections	0.1874
Weighted residual factors for significantly intense reflections	0.41
Weighted residual factors for all reflections included in the refinement	0.574
Goodness-of-fit parameter for all reflections included in the refinement	0.885
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
170089 (current)	2015-11-06	cif/ Updating files of 4031533, 4031534 Original log message: Adding full bibliography for 4031533--4031534.cif.	4031534.cif
159063	2015-10-01	cif/ Adding structures of 4031534 via cif-deposit CGI script.	4031534.cif