Information card for entry 7125461

Structure parameters

• Formula: C20 H32 N2 O3
• Calculated formula: C20 H32 N2 O3
• Title of publication: High-yield synthesis of a chiroporphyrin by hydrogen bond-directed cyclisation
• Authors of publication: Pérollier, Céline; Pécaut, Jacques; Ramasseul, René; Marchon, Jean-Claude; Bau, Robert
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1597
• a: 10.861 ± 0.002 Å
• b: 20.595 ± 0.003 Å
• c: 8.948 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2001.5 ± 0.6 ų
• Cell temperature: 163 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections: 0.1882
• Weighted residual factors for significantly intense reflections: 0.1553
• Goodness-of-fit parameter for all reflections: 1.187
• Goodness-of-fit parameter for significantly intense reflections: 1.929
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No