Crystallography Open Database

Information card for entry 7236843

Preview

Coordinates	7236843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H86 N2 O4 Si2
Calculated formula	C76 H86 N2 O4 Si2
Title of publication	Orthogonal 4,10 and 6,12 substitution of dibenzo[def,mno]chrysene polycyclic aromatic small molecules
Authors of publication	Koldemir, Unsal; Tinkham, Jonathan S.; Johnson, Robert; Lim, Bogyu; Yemam, Henok A.; Gagnon, Kevin J.; Parkin, Sean; Sellinger, Alan
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	34
Pages of publication	8723
a	8.5286 ± 0.0008 Å
b	13.2963 ± 0.0016 Å
c	15.0772 ± 0.0019 Å
α	64.392 ± 0.009°
β	89.43 ± 0.009°
γ	89.359 ± 0.008°
Cell volume	1541.7 ± 0.3 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1619
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236567 (current)	2019-11-24	cif/ Adding structures of 7236842, 7236843 via cif-deposit CGI script.	7236843.cif