Information card for entry 4107300

Structure parameters

• Formula: C61 H78 B N3 O4
• Calculated formula: C60.988 H77.984 B N3 O4
• Title of publication: Synthesis and Characterization of meso-Aryl-Substituted Subchlorins
• Authors of publication: Eiji Tsurumaki; Shohei Saito; Kil Suk Kim; Jong Min Lim; Yasuhide Inokuma; Dongho Kim; Atsuhiro Osuka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 438 - 439
• a: 14.0272 ± 0.0017 Å
• b: 14.2782 ± 0.0018 Å
• c: 17.054 ± 0.002 Å
• α: 94.453 ± 0.002°
• β: 113.348 ± 0.002°
• γ: 112.079 ± 0.002°
• Cell volume: 2801 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1094
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No