Information card for entry 7151778

Structure parameters

• Formula: C43 H29 N5
• Calculated formula: C43.006 H29.006 N4.994
• Title of publication: Unexpected hydroxylamine-induced ring-closure reactions of meso-tetraphenylsecochlorin bisaldehyde.
• Authors of publication: Akhigbe, Joshua; Peters, Gretchen; Zeller, Matthias; Brückner, Christian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 2306 - 2313
• a: 6.334 ± 0.002 Å
• b: 10.352 ± 0.003 Å
• c: 12.149 ± 0.004 Å
• α: 94.288 ± 0.005°
• β: 99.895 ± 0.005°
• γ: 101.107 ± 0.005°
• Cell volume: 765.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No