Information card for entry 4116268

Structure parameters

• Chemical name: 2,3,7,8,11,12,16,17,20,21,25,26,29,30,34,35,38,39,43,44,47,48,52,53,56,57, 61,62,65,66,70,71-dotriacontaethyl-5,14,23,32,41,50,59,68- octaphenyl-[64]hexadecaphyrin-(1.0.1.0.1.0.1.0.1.0.1.0.1.0.1.0)
• Formula: C184 H208 N16
• Calculated formula: C184 H208 N16
• Title of publication: Bis(azafulvene) as a Versatile Building Block for Giant Cyclopolypyrroles: X-ray Crystal Structure of [64]Hexadecaphyrin(1.0.1.0.1.0.1.0.1.0.1.0.1.0.1.0)
• Authors of publication: Jun-ichiro Setsune; Satoshi Maeda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 12405 - 12406
• a: 34.611 ± 0.003 Å
• b: 14.3764 ± 0.0014 Å
• c: 34.408 ± 0.004 Å
• α: 90°
• β: 94.085 ± 0.002°
• γ: 90°
• Cell volume: 17077 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2453
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2442
• Weighted residual factors for all reflections included in the refinement: 0.328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No