Crystallography Open Database

Information card for entry 7122391

Preview

Coordinates	7122391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C147 H128 N6 O14
Calculated formula	C147 H128 N6 O14
Title of publication	An electron-deficient nanosized polycyclic aromatic hydrocarbon with enhanced anion-π interactions.
Authors of publication	Li, Lei; Hong, Yu-Jian; Lin, Yun; Xiao, Wang-Chuan; Lin, Mei-Jin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	84
Pages of publication	11941 - 11944
a	18.348 ± 0.004 Å
b	18.837 ± 0.004 Å
c	21.554 ± 0.004 Å
α	97.9 ± 0.03°
β	100.31 ± 0.03°
γ	114.63 ± 0.03°
Cell volume	6472 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.1922
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.2466
Weighted residual factors for all reflections included in the refinement	0.2833
Goodness-of-fit parameter for all reflections included in the refinement	0.914
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
228485 (current)	2019-11-17	cif/ Updating files of 7122391, 7122392 Original log message: Adding full bibliography for 7122391--7122392.cif.	7122391.cif
211202	2018-09-28	cif/ Adding structures of 7122391, 7122392 via cif-deposit CGI script.	7122391.cif