Information card for entry 1507726

Structure parameters

• Formula: C77 H86 N6 Ni O3 Si
• Calculated formula: C77 H87 N6 Ni O3 Si
• Title of publication: Direct meso-Alkynylation of Porphyrins Doubly Assisted by Pyridyl Coordination.
• Authors of publication: Anabuki, Shoma; Tokuji, Sumito; Aratani, Naoki; Osuka, Atsuhiro
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2778 - 2781
• a: 28.3019 ± 0.0006 Å
• b: 11.8093 ± 0.0002 Å
• c: 42.6587 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14257.6 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.249
• Weighted residual factors for all reflections included in the refinement: 0.2968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No