Information card for entry 4023964

Structure parameters

• Formula: C54 H52 N4 O4 Zn
• Calculated formula: C54 H52 N4 O4 Zn
• SMILES: [Zn]123[n]4c(=Cc5n1c(c(c5C)CC)C)c(c(c4C)CC(=O)Oc1ccc4ccccc4c1c1c4ccccc4ccc1OC(=O)Cc1c(n3c(c1C)C=c1[n]2c(c(c1C)CC)C)C)C
• Title of publication: Asymmetric Synthesis of Mono- and Dinuclear Bis(dipyrrinato) Complexes
• Authors of publication: Adeeb Al-Sheikh Ali; Ronald E. Benson; Sascha Blumentritt; T. Stanley Cameron; Anthony Linden; David Wolstenholme; Alison Thompson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4947 - 4952
• a: 11.2709 ± 0.0003 Å
• b: 15.7446 ± 0.0005 Å
• c: 25.9223 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4600.1 ± 0.2 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No