Information card for entry 4034810

Structure parameters

• Formula: C38 H36
• Calculated formula: C38 H36
• SMILES: C1=C[C@@H]2[C@@H]3[C@@H]4[C@H]1[C@H]2C[C@]12[C@H]3[C@]35[C@]6([C@H]41)[C@@H]1[C@H](C2)[C@H]3[C@@H]2[C@]34[C@]75[C@@H]5[C@H]6[C@H]([C@H]12)[C@H]3[C@@H]5C[C@@]12[C@@H]7[C@H]3[C@@H]([C@@H]41)[C@H]1[C@@H](C2)[C@@H]3C=C1.C1=C[C@H]2[C@H]3[C@H]4[C@@H]1[C@@H]2C[C@@]12[C@@H]3[C@@]35[C@@]6([C@@H]41)[C@H]1[C@@H](C2)[C@@H]3[C@H]2[C@@]34[C@@]75[C@H]5[C@@H]6[C@@H]([C@@H]12)[C@@H]3[C@H]5C[C@]12[C@H]7[C@@H]3[C@H]([C@H]41)[C@@H]1[C@H](C2)[C@H]3C=C1
• 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: 7.3827 ± 0.0003 Å
• b: 11.4509 ± 0.0005 Å
• c: 14.5547 ± 0.0006 Å
• α: 77.556 ± 0.002°
• β: 86.847 ± 0.002°
• γ: 77.599 ± 0.002°
• Cell volume: 1173.44 ± 0.09 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: 0.0588
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No