Information card for entry 7106197

Structure parameters

• Formula: C30 H23 N
• Calculated formula: C30 H23 N
• SMILES: C(Nc1ccccc1)(=C1C=C(C=C1c1ccccc1)c1ccccc1)c1ccccc1
• 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: 11.487 ± 0.0008 Å
• b: 10.795 ± 0.0005 Å
• c: 17.421 ± 0.0013 Å
• α: 90°
• β: 101.575 ± 0.005°
• γ: 90°
• Cell volume: 2116.3 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No