Information card for entry 7104248

Structure parameters

• Common name: 3-(NO!2$)-ttbuazahempH!2$
• Formula: C50 H49 Cl3 N6 O2
• Calculated formula: C50 H49 Cl3 N6 O2
• Title of publication: 6-azahemiporphycene: a further example of corrole metamorphosis.
• Authors of publication: Mandoj, Federica; Stefanelli, Manuela; Nardis, Sara; Mastroianni, Marco; Fronczek, Frank R; Smith, Kevin M; Paolesse, Roberto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 1580 - 1582
• a: 17.6132 ± 0.0009 Å
• b: 10.8127 ± 0.0006 Å
• c: 24.8194 ± 0.0013 Å
• α: 90°
• β: 109.229 ± 0.002°
• γ: 90°
• Cell volume: 4463.1 ± 0.4 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No