Information card for entry 1506744

Structure parameters

• Formula: C26 H42 Cl3 Cr N2 O3
• Calculated formula: C26 H42 Cl3 Cr N2 O3
• SMILES: [Cr]1(Cl)(Cl)(Cl)([OH2])[n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C.O1CCCC1.O1CCCC1
• Title of publication: Surprisingly efficient catalytic Cr-mediated coupling reactions.
• Authors of publication: Namba, Kosuke; Wang, Jiashi; Cui, Sheng; Kishi, Yoshito
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 24
• Pages of publication: 5421 - 5424
• a: 13.3595 ± 0.0019 Å
• b: 13.797 ± 0.002 Å
• c: 16.4 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3022.9 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No