Information card for entry 7131050

Structure parameters

• Formula: C134 H44 F50 S10
• Calculated formula: C134 H44 F50 S10
• Title of publication: Topoisomers and aromaticity of a redox active 50π core-modified isophlorinoid.
• Authors of publication: Udaya, Hosahalli S.; Basavarajappa, Ashokkumar; Gopalakrishna, Tullimilli Y.; Anand, Venkataramanarao G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• a: 10.7591 ± 0.0005 Å
• b: 17.488 ± 0.0009 Å
• c: 17.8046 ± 0.0007 Å
• α: 63.54 ± 0.001°
• β: 83.089 ± 0.002°
• γ: 85.48 ± 0.002°
• Cell volume: 2976.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1767
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No