Information card for entry 7131049

Structure parameters

• Formula: C119 H44 F49.21 O5 S15
• Calculated formula: C119 H44 F49.21 O5 S15
• 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: 32.114 ± 0.01 Å
• b: 17.231 ± 0.004 Å
• c: 21.376 ± 0.006 Å
• α: 90°
• β: 96.38 ± 0.013°
• γ: 90°
• Cell volume: 11755 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1473
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.2625
• Weighted residual factors for all reflections included in the refinement: 0.3331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No