Crystallography Open Database

Information card for entry 4124210

Preview

Coordinates	4124210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H47 N5 O2
Calculated formula	C49 H47 N5 O2
Title of publication	Push-Pull Type Oligo(N-annulated perylene)quinodimethanes: Chain Length and Solvent-Dependent Ground States and Physical Properties.
Authors of publication	Zeng, Zebing; Lee, Sangsu; Son, Minjung; Fukuda, Kotaro; Burrezo, Paula Mayorga; Zhu, Xiaojian; Qi, Qingbiao; Li, Run-Wei; Navarrete, Juan T López; Ding, Jun; Casado, Juan; Nakano, Masayoshi; Kim, Dongho; Wu, Jishan
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	26
Pages of publication	8572 - 8583
a	17.8586 ± 0.0013 Å
b	8.3703 ± 0.0006 Å
c	26.813 ± 0.002 Å
α	90°
β	96.883 ± 0.004°
γ	90°
Cell volume	3979.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
152742 (current)	2015-08-04	cif/ Adding structures of 4124210 via cif-deposit CGI script.	4124210.cif