Information card for entry 1567240

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
• 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 ų
• 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 Fobs: No