Information card for entry 1569470

Structure parameters

• Formula: C44 H44
• Calculated formula: C44 H44
• Title of publication: 4,5-Di-tert-butyl-1,3,6,8-tetraphenyl-4,5,8a,8b-tetrahydro-as-indacene
• Authors of publication: Colon-Madera, Shakira I.; Jennings, Abby R.; Iacono, Scott T.; Balaich, Gary J.
• Journal of publication: Molbank
• Year of publication: 2023
• Journal volume: 2023
• Journal issue: 2
• Pages of publication: M1663
• a: 13.6616 ± 0.0001 Å
• b: 19.0942 ± 0.0001 Å
• c: 25.6524 ± 0.0002 Å
• α: 90°
• β: 101.455 ± 0.001°
• γ: 90°
• Cell volume: 6558.33 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No