Crystallography Open Database

Information card for entry 7122392

Preview

Coordinates	7122392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H59 Cl2 N3 O6
Calculated formula	C65 H59 Cl2 N3 O6
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	22.793 ± 0.005 Å
b	19.106 ± 0.004 Å
c	14.475 ± 0.003 Å
α	90°
β	107.05 ± 0.03°
γ	90°
Cell volume	6027 ± 2 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.253
Residual factor for significantly intense reflections	0.1842
Weighted residual factors for significantly intense reflections	0.4773
Weighted residual factors for all reflections included in the refinement	0.5113
Goodness-of-fit parameter for all reflections included in the refinement	1.49
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.	7122392.cif
211202	2018-09-28	cif/ Adding structures of 7122391, 7122392 via cif-deposit CGI script.	7122392.cif