Information card for entry 7130027

Structure parameters

• Formula: C28 H19 Br O2
• Calculated formula: C28 H19 Br O2
• Title of publication: Synthesis of a helicene-fused porphyrin leading to a π-extended chiral chromophore
• Authors of publication: Silber, Vincent; Kyritsakas, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ruppert, Romain
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 14.6897 ± 0.0005 Å
• b: 14.0457 ± 0.0006 Å
• c: 20.6528 ± 0.0007 Å
• α: 90°
• β: 104.441 ± 0.001°
• γ: 90°
• Cell volume: 4126.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No