Crystallography Open Database

Information card for entry 1534132

Preview

Coordinates	1534132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H118 B2 O4
Calculated formula	C96 H118 B2 O4
SMILES	B12c3c4c5ccccc5c5c3B3c6c(c7ccccc7c(c16)c1c6c2c2c(cc6c(cc1)OCCCCCCCCCCCC)c(ccc42)OCCCCCCCCCCCC)c1ccc(c2cc4c(c3c12)c5ccc4OCCCCCCCCCCCC)OCCCCCCCCCCCC
Title of publication	Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance
Authors of publication	Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	1
Pages of publication	219
a	11.769 ± 0.012 Å
b	14.134 ± 0.013 Å
c	23.62 ± 0.02 Å
α	84.13 ± 0.03°
β	87.54 ± 0.02°
γ	84.78 ± 0.02°
Cell volume	3890 ± 6 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 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	0.1791
Residual factor for significantly intense reflections	0.1016
Weighted residual factors for significantly intense reflections	0.2431
Weighted residual factors for all reflections included in the refinement	0.3144
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
175928 (current)	2016-02-05	cif/ Updating files of 1534131, 1534132, 1534133, 1534134 Original log message: Adding full bibliography for 1534131--1534134.cif.	1534132.cif
160593	2015-10-07	cif/ Adding structures of 1534131, 1534132, 1534133, 1534134 via cif-deposit CGI script.	1534132.cif