Information card for entry 1505424

Structure parameters

• Formula: C77 H94 Cl3 N6 O Zn
• Calculated formula: C77 H94 Cl3 N6 O Zn
• Title of publication: Synthesis of meso-5-azaindolyl-appended Zn(II) porphyrins via Pd-catalyzed annulation.
• Authors of publication: Maeda, Chihiro; Shinokubo, Hiroshi; Osuka, Atsuhiro
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 2493 - 2496
• a: 11.7096 ± 0.0019 Å
• b: 20.183 ± 0.003 Å
• c: 31.905 ± 0.005 Å
• α: 98.296 ± 0.003°
• β: 94.448 ± 0.003°
• γ: 96.059 ± 0.003°
• Cell volume: 7387 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1702
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2266
• Weighted residual factors for all reflections included in the refinement: 0.2783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No