Information card for entry 4030418

Structure parameters

• Formula: C30 H30 Br P Pd
• Calculated formula: C30 H30 Br P Pd
• SMILES: [Pd]12(Br)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[CH]3=[CH]1[C@@H]1[C@H]2[C@H]2C[C@@H]4CC[C@H]2[C@H]3[C@H]14.[Pd]12(Br)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[CH]3=[CH]1[C@H]1[C@@H]2[C@@H]2C[C@H]4CC[C@@H]2[C@@H]3[C@@H]14
• Title of publication: Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.
• Authors of publication: Olbrich, Martin; Mayer, Peter; Trauner, Dirk
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 4
• Pages of publication: 2042 - 2055
• a: 10.0125 ± 0.0002 Å
• b: 19.3538 ± 0.0004 Å
• c: 13.1438 ± 0.0002 Å
• α: 90°
• β: 105.824 ± 0.001°
• γ: 90°
• Cell volume: 2450.48 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No