Information card for entry 2105603

Structure parameters

• Formula: C15 H19 N O2
• Calculated formula: C15 H19 N O2
• SMILES: COc1cccc(c1)NC1=CC(=O)CC(C1)(C)C
• Title of publication: Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers
• Authors of publication: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 50 - 65
• a: 27.458 ± 0.004 Å
• b: 7.18 ± 0.002 Å
• c: 14.21 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2801.5 ± 1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.42
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No