Information card for entry 4306336

Structure parameters

• Common name: HDADP^Ph,iPr^
• Formula: C23 H26 N4 O2
• Calculated formula: C23 H26 N4 O2
• Title of publication: Diamidodipyrrins: Versatile Bipyrrolic Ligands with Multiple Metal Binding Modes
• Authors of publication: Van S. Thoi; Jay R. Stork; Edwards T. Niles; Ezra C. Depperman; David L. Tierney; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10533 - 10541
• a: 15.7923 ± 0.0019 Å
• b: 13.354 ± 0.0017 Å
• c: 21.442 ± 0.003 Å
• α: 90°
• β: 106.781 ± 0.002°
• γ: 90°
• Cell volume: 4329.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1806
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No