Information card for entry 1502959

Structure parameters

• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: n1(cc2C(CC(=C(c3cccc1c23)C(=O)OC)O)(C)C)C
• Title of publication: Approaches to N-methylwelwitindolinone C isothiocyanate: facile synthesis of the tetracyclic core.
• Authors of publication: Heidebrecht, Jr, Richard W; Gulledge, Brian; Martin, Stephen F.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 2492 - 2495
• a: 9.5637 ± 0.0002 Å
• b: 15.928 ± 0.0003 Å
• c: 10.1072 ± 0.0002 Å
• α: 90°
• β: 108.491 ± 0.001°
• γ: 90°
• Cell volume: 1460.15 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No