Information card for entry 7038969

Structure parameters

• Formula: C25 H37 Cr O6 P5
• Calculated formula: C25 H37 Cr O6 P5
• SMILES: [Cr]([P@@]12P3[C@]2(P2C(=P[C@@]3([C@]2([P@H]1=O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[Cr]([P@]12P3[C@@]2(P2C(=P[C@]3([C@@]2([P@@H]1=O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction.
• Authors of publication: Keller, I. C.; Bauer, W.; Heinemann, F. W.; Höhn, C; Rohwer, L.; Zenneck, U.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7267 - 7277
• a: 10.373 ± 0.0012 Å
• b: 11.494 ± 0.0009 Å
• c: 14.269 ± 0.0011 Å
• α: 95.832 ± 0.008°
• β: 92.762 ± 0.008°
• γ: 114.536 ± 0.006°
• Cell volume: 1531.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No