Information card for entry 4038915

Structure parameters

• Formula: C38 H54 N4 O2
• Calculated formula: C38 H54 N4 O2
• Title of publication: Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins
• Authors of publication: Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 13.3711 ± 0.0005 Å
• b: 12.805 ± 0.0005 Å
• c: 20.1366 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3447.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No