Information card for entry 1513531

Structure parameters

• Formula: C28 H28 N4 O8 Pd
• Calculated formula: C28 H28 N4 O8 Pd
• SMILES: [Pd]123n4c5c6[n]1c(c(OC)c6OC)=CC=c1n3c(=c3[n]2c(c(OC)c3OC)C=Cc4c(OC)c5OC)c(OC)c1OC
• Title of publication: β-Octamethoxyporphycenes.
• Authors of publication: Rana, Anup; Panda, Pradeepta K.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 78 - 81
• a: 14.1047 ± 0.0006 Å
• b: 12.6047 ± 0.0005 Å
• c: 15.526 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2760.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No