Crystallography Open Database

Information card for entry 7247183

Preview

Coordinates	7247183.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dimethoxy-m-bisazobenzene
Formula	C20 H18 N4 O2
Calculated formula	C20 H18 N4 O2
SMILES	O(c1ccc(/N=N/c2cc(/N=N/c3ccc(OC)cc3)ccc2)cc1)C
Title of publication	Photoliquefaction and phase transition of m-bisazobenzenes give molecular solar thermal fuels with a high energy density
Authors of publication	Morikawa, Masa-aki; Yamanaka, Yuta; Ho Hui, Joseph Ka; Kimizuka, Nobuo
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	34
Pages of publication	24031 - 24037
a	9.3875 ± 0.0002 Å
b	5.3588 ± 0.0001 Å
c	34.5503 ± 0.0007 Å
α	90°
β	92.723 ± 0.002°
γ	90°
Cell volume	1736.12 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation probe	x-ray
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
294326 (current)	2024-09-02	cif/7: Fixing some Z values and formulae	7247183.cif
285615	2023-08-11	cif/ Adding structures of 7247183, 7247184 via cif-deposit CGI script.	7247183.cif