Information card for entry 4121937

Structure parameters

• Common name: Bisporphirin
• Chemical name: Bis(5,10,15,20-tetraphenyl-porphirin)
• Formula: C94.45 H72.9 Cl0.9 N8
• Calculated formula: C94.45 H72.9 Cl0.9 N8
• Title of publication: Axially Chiral β,β'-Bisporphyrins: Synthesis and Configurational Stability Tuned by the Central Metals
• Authors of publication: Bringmann, Gerhard; Götz, Daniel C. G.; Gulder, Tobias A. M.; Gehrke, Tim H.; Bruhn, Torsten; Kupfer, Thomas; Radacki, Krzysztof; Braunschweig, Holger; Heckmann, Alexander; Lambert, Christoph
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Journal issue: 52
• Pages of publication: 17812 - 17825
• a: 13.0576 ± 0.0011 Å
• b: 14.7944 ± 0.0011 Å
• c: 18.9761 ± 0.0015 Å
• α: 96.118 ± 0.004°
• β: 90.411 ± 0.004°
• γ: 106.267 ± 0.004°
• Cell volume: 3496.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4108923
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No