Information card for entry 7110759

Structure parameters

• Common name: Compound 2b
• Formula: C61 H45 Cl3 N4 O3 Zn
• Calculated formula: C61 H42 Cl3 N4 O3 Zn
• Title of publication: A convenient synthesis of porphodimethenes and their conversion to trans-porphyrins with two functionalized meso-naphthyl substituents
• Authors of publication: Harmjanz, Michael; Scott, Michael J.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 397
• a: 29.539 ± 0.002 Å
• b: 29.539 ± 0.002 Å
• c: 12.1044 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10561.7 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No