Information card for entry 7108624

Structure parameters

• Chemical name: 1-[(4-hydroxy-carboxyphenylamino)methylene]naphthalene-2(1H)-one
• Formula: C18 H13 N O4
• Calculated formula: C18 H13 N O4
• SMILES: O=C(O)c1c(O)ccc(N/C=C2\C(=O)C=Cc3c2cccc3)c1
• Title of publication: Effect of atmosphere on solid-state amine-aldehyde condensations: gas-phase catalysts for solid-state transformations
• Authors of publication: Dominik Cincic; Ivana Brekalo; Branko Kaitner
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11683
• a: 10.4331 ± 0.0005 Å
• b: 11.4045 ± 0.0005 Å
• c: 11.4271 ± 0.0006 Å
• α: 90°
• β: 97.021 ± 0.004°
• γ: 90°
• Cell volume: 1349.45 ± 0.11 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0863
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No