Information card for entry 7131051

Structure parameters

• Formula: C118 H36 Cl20 F50 S10 Sb2
• Calculated formula: C118 H36 Cl20 F50 S10 Sb2
• 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: 13.852 ± 0.004 Å
• b: 15.004 ± 0.005 Å
• c: 18.787 ± 0.006 Å
• α: 81.29 ± 0.008°
• β: 69.677 ± 0.008°
• γ: 70.253 ± 0.008°
• Cell volume: 3443.6 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No