Information card for entry 7133773

Structure parameters

• Formula: C63 H59 Cl3 N2 Se
• Calculated formula: C63 H59 Cl3 N2 Se
• Title of publication: Tailoring Helical Ends of π-Extended [6]Heterohelicenes to Control Optical, and Electrochemical Features
• Authors of publication: Kumar, Viksit; Dongre, Sangram D.; Venugopal, Geethu; Narayanan, Aswini; Sukumaran, Santhosh Babu
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 11.0594 ± 0.0009 Å
• b: 16.3603 ± 0.0015 Å
• c: 16.3749 ± 0.0015 Å
• α: 62.846 ± 0.003°
• β: 76.886 ± 0.003°
• γ: 76.976 ± 0.003°
• Cell volume: 2542 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No