Information card for entry 7119617

Structure parameters

• Formula: C15 H15 N O2
• Calculated formula: C15 H15 N O2
• SMILES: O=C1N2[C@@H](CC(=O)C(=C1)C)Cc1cccc(C)c21
• Title of publication: Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides
• Authors of publication: Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8305
• a: 7.9647 ± 0.0002 Å
• b: 9.5076 ± 0.0003 Å
• c: 16.0492 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1215.33 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0283
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No