Crystallography Open Database

Information card for entry 7127387

Preview

Coordinates	7127387.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CPDBC
Chemical name	4,4',4'',4'''-(dibenzo[g,p]chrysene-2,7,10,15-tetrayl)tetrabenzoic acid
Formula	C54 H32 O8
Calculated formula	C54 H32 O8
Title of publication	Hydrogen-bonded organic frameworks of twisted polycyclic aromatic hydrocarbon.
Authors of publication	Suzuki, Yuto; Tohnai, Norimitsu; Saeki, Akinori; Hisaki, Ichiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	87
Pages of publication	13369 - 13372
a	3.7618 ± 0.0005 Å
b	24.323 ± 0.003 Å
c	41.416 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3789.5 ± 0.9 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	3
Space group number	48
Hermann-Mauguin space group symbol	P n n n :2
Hall space group symbol	-P 2ab 2bc
Residual factor for all reflections	0.0974
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.239
Weighted residual factors for all reflections included in the refinement	0.2556
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.4286 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260704 (current)	2021-01-07	cif/ Updating files of 7127387, 7127388 Original log message: Adding full bibliography for 7127387--7127388.cif.	7127387.cif
257193	2020-10-06	cif/ Adding structures of 7127387, 7127388 via cif-deposit CGI script.	7127387.cif