Information card for entry 7212992

Structure parameters

• Common name: dihydropyrene 9a
• Chemical name: 2,7-di-tert-butyl-10b,10c-bis(trimethylsilylmethyl)-trans-10b,10c-dihydropyrene
• Formula: C32 H48 Si2
• Calculated formula: C32 H48 Si2
• SMILES: C1=C2C=CC3=CC(=CC4=CC=C(C=C1C(C)(C)C)C2(C[Si](C)(C)C)C34C[Si](C)(C)C)C(C)(C)C
• Title of publication: Novel, strained 10b,10c-dihydropyrenes bearing bulky TMSCH2 groups at the internal positions
• Authors of publication: Sawada, Tsuyoshi; Wakabayashi, Masaki; Takeo, Hiromi; Miyazawa, Akira; Tashiro, Masashi; Thiemann, Thies; Mataka, Shuntaro
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 4
• Pages of publication: 403
• a: 9.537 ± 0.001 Å
• b: 9.828 ± 0.002 Å
• c: 9.09 ± 0.001 Å
• α: 115.5 ± 0.01°
• β: 97.54 ± 0.01°
• γ: 89.19 ± 0.01°
• Cell volume: 761.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.1265
• Weighted residual factors for significantly intense reflections: 0.1171
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No