Information card for entry 4070983

Structure parameters

• Formula: C30 H27 Cr N O7
• Calculated formula: C30 H27 Cr N O7
• SMILES: [Cr](=C(c1c(ccc(c1)C(=O)O[C@@H](C)c1cccc2ccccc12)C(C)C)N(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Enantiomerically Pure Axially Chiral Aminocarbene Complexes of Chromium
• Authors of publication: Meca, Luděk; Císařová, Ivana; Drahoňovský, Dušan; Dvořák, Dalimil
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1850
• a: 7.8806 ± 0.0001 Å
• b: 11.5719 ± 0.0002 Å
• c: 30.8273 ± 0.0005 Å
• α: 90°
• β: 92.077 ± 0.0009°
• γ: 90°
• Cell volume: 2809.4 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No