Information card for entry 1503449

Structure parameters

• Formula: C40.5 H25 B Cl N3 O S6
• Calculated formula: C40.5 H25 B Cl N3 O S6
• Title of publication: meso-Tris(oligo-2,5-thienylene)-substituted subporphyrins.
• Authors of publication: Hayashi, Shin-ya; Inokuma, Yasuhide; Osuka, Atsuhiro
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4148 - 4151
• a: 7.424 ± 0.003 Å
• b: 15.481 ± 0.007 Å
• c: 17.646 ± 0.01 Å
• α: 67.579 ± 0.018°
• β: 79.68 ± 0.017°
• γ: 79.989 ± 0.015°
• Cell volume: 1832 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2399
• Weighted residual factors for all reflections included in the refinement: 0.2738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No