Information card for entry 7130026

Structure parameters

• Formula: C28 H18 O2
• Calculated formula: C28 H18 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: 11.5972 ± 0.0004 Å
• b: 12.8994 ± 0.0005 Å
• c: 13.7902 ± 0.0005 Å
• α: 90°
• β: 114.217 ± 0.001°
• γ: 90°
• Cell volume: 1881.43 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No