Information card for entry 7110244

Structure parameters

• Formula: C46 H46 Cl2 O7 Rh2
• Calculated formula: C46 H46 Cl2 O7 Rh2
• SMILES: [Rh]1234([Cl][Rh]567([Cl]1)[C]1(O[C@@H]8[C@]([CH]5=1)(C[C]7(=[CH]68)c1ccccc1)C(=O)OC)c1ccccc1)[C]1(O[C@@H]5[C@]([CH]2=1)(C[C]4(=[CH]35)c1ccccc1)C(=O)OC)c1ccccc1.O(CC)CC.[Rh]1234([Cl][Rh]567([Cl]1)[C]1(O[C@H]8[C@@]([CH]5=1)(C[C]7(=[CH]68)c1ccccc1)C(=O)OC)c1ccccc1)[C]1(O[C@H]5[C@@]([CH]2=1)(C[C]4(=[CH]35)c1ccccc1)C(=O)OC)c1ccccc1.O(CC)CC
• Title of publication: Double gamma-alkylation of allylic phosphorus ylides: a unique access to oxa-bicyclic[3.3.0] diene skeletons
• Authors of publication: Peng Wang; Saihu Liao; Jian-Bo Zhu; Yong Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 808
• a: 16.3366 ± 0.0013 Å
• b: 14.6059 ± 0.0012 Å
• c: 17.7679 ± 0.0014 Å
• α: 90°
• β: 105.468 ± 0.001°
• γ: 90°
• Cell volume: 4086.1 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No