Information card for entry 7110602

Structure parameters

• Formula: C25 H33 N O2
• Calculated formula: C25 H33 N O2
• SMILES: O1CCCCCCCCCCCCN(c2ccccc12)C(=O)c1ccccc1
• Title of publication: A new route to medium and large heterocyclic compounds
• Authors of publication: Ventrice, Tina; Campi, Eva M.; Roy Jackson, W.; Patti, Antonio F.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1463
• a: 9.3905 ± 0.0001 Å
• b: 23.1162 ± 0.0005 Å
• c: 10.0908 ± 0.0002 Å
• α: 90°
• β: 99.648 ± 0.001°
• γ: 90°
• Cell volume: 2159.46 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections: 1.792
• Goodness-of-fit parameter for all reflections included in the refinement: 2.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No