Crystallography Open Database

Information card for entry 7234630

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Coordinates	7234630.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DAC-TP
Chemical name	6,12-bis-(10-[1,1';3',1'']terphenyl-5'-yl-anthracen-9-yl)-chrysene
Formula	C94 H60 Cl4
Calculated formula	C94 H60 Cl4
Title of publication	Excimer emission based on the control of molecular structure and intermolecular interactions
Authors of publication	Jaehyun Lee; Hyocheol Jung; Hwangyu Shin; Joonghan Kim; Daisuke Yokoyama; Hidetaka Nishimura; Atsushi Wakamiya; Jongwook Park
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2784 - 2792
a	9.6963 ± 0.0013 Å
b	32.629 ± 0.004 Å
c	11.449 ± 0.0016 Å
α	90°
β	113.025 ± 0.002°
γ	90°
Cell volume	3333.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0838
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219360 (current)	2019-10-15	cif/ Adding structures of 7234630 via cif-deposit CGI script.	7234630.cif