Information card for entry 4034812

Structure parameters

• Formula: C19 H20
• Calculated formula: C19 H20
• SMILES: C1=C[C@@H]2[C@@H]3[C@@H]4[C@H]1C2CC12C3[C@@H]3[C@H](C41)[C@H]1C=C[C@@H]3C1C2
• Title of publication: Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.
• Authors of publication: Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 10
• Pages of publication: 5420 - 5430
• a: 5.9104 ± 0.0004 Å
• b: 11.1856 ± 0.0008 Å
• c: 19.9679 ± 0.0014 Å
• α: 105.046 ± 0.002°
• β: 96.566 ± 0.002°
• γ: 90.113 ± 0.002°
• Cell volume: 1265.8 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No