Information card for entry 4030410

Structure parameters

• Formula: C29 H30 Br P Pd
• Calculated formula: C29 H30 Br P Pd
• SMILES: [Pd]12(Br)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]3[C@H]4[CH]1=[CH]2[C@@]1([C@H]4CC[C@H]3C1)C.[Pd]12(Br)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]3[C@@H]4[CH]1=[CH]2[C@]1([C@@H]4CC[C@@H]3C1)C
• 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: 13.3791 ± 0.0003 Å
• b: 9.9376 ± 0.0002 Å
• c: 19.0528 ± 0.0005 Å
• α: 90°
• β: 97.985 ± 0.002°
• γ: 90°
• Cell volume: 2508.63 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No