Information card for entry 7120711

Structure parameters

• Formula: C22 H30
• Calculated formula: C22 H30
• SMILES: [C@@H]1([C@@H]2CC[C@@]34[C@H]1[C@@H](CC3)C[C@H]24)[C@@H]1[C@H]2CC[C@]34[C@@H]1[C@H](CC3)C[C@@H]24
• Title of publication: Synthesis of Trinorbornane
• Authors of publication: Delarue Bizzini, Lorenzo; Müntener, Thomas; Häussinger, Daniel; Neuburger, Markus; Mayor, Marcel
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 5.8515 ± 0.0004 Å
• b: 11.0768 ± 0.0008 Å
• c: 12.6463 ± 0.0009 Å
• α: 90°
• β: 99.386 ± 0.005°
• γ: 90°
• Cell volume: 808.71 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No