Information card for entry 7106198

Structure parameters

• Formula: C34 H30 K N O
• Calculated formula: C34 H30 K N O
• SMILES: c1c(c([cH-]c1c1ccccc1)c1ccccc1)C(c1ccccc1)=[N](c1ccccc1)[K][O]1CCCC1
• Title of publication: The potassium hydride mediated trimerization of imines
• Authors of publication: Kathrin Kutlescha; Gopaladasu T. Venkanna; Rhett Kempe
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4183
• a: 9.295 ± 0.0011 Å
• b: 11.229 ± 0.0015 Å
• c: 13.23 ± 0.0016 Å
• α: 102.247 ± 0.01°
• β: 90.466 ± 0.01°
• γ: 90.952 ± 0.01°
• Cell volume: 1349.2 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.197
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.684
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No