Information card for entry 4116338

Structure parameters

• Common name: tetrabromopentacyclotetradecane
• Formula: C14 H16 Br4
• Calculated formula: C14 H16 Br4
• SMILES: [C@@H]1(Br)[C@@H]2[C@@H]3[C@H]([C@H]1Br)CC1C[C@H]4[C@H]([C@@H]2[C@@H]([C@H]4Br)Br)C31
• Title of publication: Novel Ruthenium Complex-Catalyzed Dimerization of 2,5-Norbornadiene to Pentacyclo[6.6.0.0^2,6^.0^3,13^.0^10,14^]tetradeca-4,11-diene Involving Carbon-Carbon Bond Cleavage
• Authors of publication: Take-aki Mitsudo; Toshiaki Suzuki; Shi-Wei Zhang; Daisuke Imai; Ken-ichi Fujita; Takao Manabe; Masashi Shiotsuki; Yoshihisa Watanabe; Kenji Wada; Teruyuki Kondo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Journal issue: 9
• Pages of publication: 1839 - 1850
• a: 14.183 ± 0.004 Å
• b: 16.477 ± 0.004 Å
• c: 6.387 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1492.6 ± 1.1 ų
• Cell temperature: 291.2 K
• Ambient diffraction temperature: 291.2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0
• Weighted residual factors for significantly intense reflections: 0
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.88
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No