Information card for entry 7133772

Structure parameters

• Formula: C63 H62 Cl3 N2 S
• Calculated formula: C63 H59 Cl3 N2 S
• 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; Babu, Sukumaran Santhosh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 83
• Pages of publication: 11944 - 11947
• a: 27.701 ± 0.014 Å
• b: 17.066 ± 0.008 Å
• c: 11.137 ± 0.005 Å
• α: 90°
• β: 105.043 ± 0.015°
• γ: 90°
• Cell volume: 5085 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No