Information card for entry 7213154

Structure parameters

• Formula: C28 H21 Cr O4 P
• Calculated formula: C28 H21 Cr O4 P
• SMILES: [Cr]12345(C#[O])(C#[O])(C#[O])[c]6([c]5([cH]4[cH]3[cH]2[c]16)P(c1ccccc1)c1ccccc1)C(O)c1ccccc1
• Title of publication: The asymmetric synthesis of phosphorus- and sulfur-containing tricarbonyl(η6-arene)chromium complexes using the chiral base approach
• Authors of publication: Ariffin, Azhar; Blake, Alexander J.; Ewin, Richard A.; Li, Wan-Sheung; Simpkins, Nigel S.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 3177
• a: 10.82 ± 0.002 Å
• b: 11.206 ± 0.002 Å
• c: 14.618 ± 0.002 Å
• α: 75.33 ± 0.02°
• β: 86.12 ± 0.02°
• γ: 78.6 ± 0.02°
• Cell volume: 1680.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0568
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No