Information card for entry 1504982

Structure parameters

• Formula: C69 H48 B2 Cl2 N6 O2
• Calculated formula: C69 H48 B2 Cl2 N6 O2
• Title of publication: 3,3'- and 4,4'-biphenylene-bridged subporphyrin dimers.
• Authors of publication: Inokuma, Yasuhide; Osuka, Atsuhiro
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 5561 - 5564
• a: 11.866 ± 0.004 Å
• b: 19.507 ± 0.007 Å
• c: 12.211 ± 0.005 Å
• α: 90°
• β: 103.446 ± 0.015°
• γ: 90°
• Cell volume: 2749 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2517
• Weighted residual factors for all reflections included in the refinement: 0.2784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No