Information card for entry 1504660

Structure parameters

• Formula: C21 H20 N2 O4
• Calculated formula: C21 H20 N2 O4
• SMILES: O=C1OC[C@@H](N2O[C@]3(c4ccccc4N(C3=O)C)[C@H](C)[C@@H]12)c1ccccc1
• Title of publication: Synthesis of maremycins A and D1 via cycloaddition of a nitrone with (E)-3-ethylidene-1-methylindolin-2-one.
• Authors of publication: Ueda, Tohru; Inada, Mitsuhide; Okamoto, Iwao; Morita, Nobuyoshi; Tamura, Osamu
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 2043 - 2046
• a: 7.6455 ± 0.0013 Å
• b: 10.2121 ± 0.0017 Å
• c: 22.5 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1756.7 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No