Information card for entry 7124961

Structure parameters

• Formula: C104 H92 Br8 Cl2 N4 O
• Calculated formula: C104 H92 Br8 Cl2 N4 O
• Title of publication: The role of steric hindrance in the intramolecular oxidative aromatic coupling of pyrrolo[3,2-b]pyrroles.
• Authors of publication: Krzeszewski, Maciej; Swider, Paweł; Dobrzycki, Łukasz; Cyrański, Michał K; Danikiewicz, Witold; Gryko, Daniel T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 77
• Pages of publication: 11539 - 11542
• a: 10.9254 ± 0.0012 Å
• b: 13.4449 ± 0.0014 Å
• c: 15.8457 ± 0.0017 Å
• α: 95.9 ± 0.004°
• β: 100.524 ± 0.004°
• γ: 95.947 ± 0.004°
• Cell volume: 2258.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No