Information card for entry 7154969

Structure parameters

• Chemical name: Iminoquinone
• Formula: C26 H18 N2 O3
• Calculated formula: C26 H18 N2 O3
• SMILES: C1(\C(=C(C(=O)C=C1)N)C(=O)c1ccccc1)=N/c1ccccc1C(=O)c1ccccc1
• Title of publication: An efficient synthesis of iminoquinones by a chemoselective domino ortho-hydroxylation/oxidation/imidation sequence of 2-aminoaryl ketones.
• Authors of publication: Chandrasekar, Selvaraj; Sekar, Govidasamy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3053 - 3060
• a: 9.0241 ± 0.0004 Å
• b: 9.7102 ± 0.0004 Å
• c: 12.2998 ± 0.0005 Å
• α: 84.499 ± 0.002°
• β: 84.789 ± 0.002°
• γ: 74.1251 ± 0.0016°
• Cell volume: 1029.55 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No