Crystallography Open Database

Information card for entry 1567240

Preview

Coordinates	1567240.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2,3,8,12,17,18-hexaethyl-7,13-dimethylbiliverdin
Chemical name	2,3,8,12,17,18-hexaethyl-7,13-dimethylbiliverdin
Formula	C33 H42 N4 O2
Calculated formula	C33 H42 N4 O2
SMILES	O=C1NC(=C\c2[nH]c(c(c2C)CC)C=c2nc(c(c2CC)C)/C=C2/C(CC)=C(CC)C(=O)N2)/C(=C1CC)CC
Title of publication	Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation
Authors of publication	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun
Journal of publication	Chemical Science
Year of publication	2022
a	14.8284 ± 0.0008 Å
b	17.9936 ± 0.001 Å
c	21.3095 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5685.7 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
276577 (current)	2022-07-06	cif/ Adding structures of 1567231, 1567232, 1567233, 1567234, 1567235, 1567236, 1567237, 1567238, 1567239, 1567240 via cif-deposit CGI script.	1567240.cif