Information card for entry 7104221

Structure parameters

• Formula: C78 H87 N5 O3 Zn
• Calculated formula: C78 H87 N5 O3 Zn
• Title of publication: Synthesis of a pyridine-fused porphyrinoid: oxopyridochlorin.
• Authors of publication: Tokuji, Sumito; Takahashi, Yuji; Shinmori, Hideyuki; Shinokubo, Hiroshi; Osuka, Atsuhiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1028 - 1030
• a: 10.549 ± 0.015 Å
• b: 16.88 ± 0.03 Å
• c: 20.16 ± 0.03 Å
• α: 87.34 ± 0.06°
• β: 85.64 ± 0.06°
• γ: 74.93 ± 0.06°
• Cell volume: 3455 ± 9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No