Information card for entry 7110667

Structure parameters

• Formula: C27 H24 Cr N2 O4
• Calculated formula: C27 H24 Cr N2 O4
• SMILES: [Cr]12345([c]6([c]1([cH]2[cH]3[cH]4[cH]56)C1N(C)[C@@H]([C@H](N1C)c1ccccc1)c1ccccc1)C=O)(C#[O])(C#[O])C#[O]
• Title of publication: Two-step synthesis of homochiral monoaminals of tricarbonylphthalaldehydechromium complex
• Authors of publication: Rose-Munch, Françoise; Gagliardini, Vanessa; Perrotey, Anne; Tranchier, Jean-Philippe; Rose, Eric; Mangeney, Pierre; Alexakis, Alexandre; Kanger, Tonis; Vaissermann, Jacqueline
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 20
• Pages of publication: 2061
• a: 7.333 ± 0.002 Å
• b: 14.455 ± 0.003 Å
• c: 22.976 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2435.4 ± 0.9 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0438
• Goodness-of-fit parameter for significantly intense reflections: 2.0941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No