Information card for entry 7106864

Structure parameters

• Common name: ((1S,3S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin- 3-yl)methanol
• Chemical name: ((1S,3S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
• Formula: C10 H13 N O
• Calculated formula: C10 H13 N O
• SMILES: C1c2ccccc2C[C@@H](CO)N1
• Title of publication: An organogel formed from a cyclic b-aminoalcohol
• Authors of publication: Chuanqing Kang; Yabing He; Zheng Bian; Fushe Han; Xuepeng Qiu; Lianxun Gao
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10746
• a: 9.6435 ± 0.0014 Å
• b: 6.5 ± 0.001 Å
• c: 14.39 ± 0.002 Å
• α: 90°
• β: 106.698 ± 0.002°
• γ: 90°
• Cell volume: 864 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No