Information card for entry 1504067

Structure parameters

• Formula: C24 H25 N O
• Calculated formula: C24 H25 N O
• SMILES: N([C@@H]1[C@@H](O)Cc2c(cccc2)C1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Efficient and highly selective synthesis of enantiopure cis- or trans-3,4-disubstituted 1,2,3,4-tetrahydroisoquinolines.
• Authors of publication: Concellón, José M; Tuya, Paula; del Solar, Virginia; García-Granda, Santiago; Díaz, M Rosario
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 3750 - 3753
• a: 6.5177 ± 0.0001 Å
• b: 15.986 ± 0.0003 Å
• c: 18.6727 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1945.55 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No