Information card for entry 7218515

Structure parameters

• Formula: C26 H27 N O2
• Calculated formula: C26 H27 N O2
• SMILES: O=C(O[C@H]1[C@H]2c3ccccc3[C@@H](C1)C2)[C@H]1N([C@@H]2C=C[C@H]1C2)[C@H](C)c1ccccc1
• Title of publication: Endo-benzonorbornen-2-ol as an efficient non-natural chiral auxiliary in the asymmetric aza-Diels‒Alder reactions between cyclopentadiene and (1-phenylethyl)iminoacetates
• Authors of publication: Sousa, Carlos Alberto; Maestro, Miguel Ángel; Garcia-Mera, Xerardo; Rodriguez-Borges, José Enrique
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 5.856 ± 0.0004 Å
• b: 15.3344 ± 0.0011 Å
• c: 22.623 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2031.5 ± 0.2 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 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: 0.0732
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No