Information card for entry 2217720

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine
• Formula: C19 H21 N O S
• Calculated formula: C19 H21 N O S
• SMILES: s1c(C(Oc2cccc3ccccc23)CCN(C)C)ccc1
• Title of publication: <i>N</i>,<i>N</i>-Dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine
• Authors of publication: Tao, Xiao; Zhang, Xiao-Qing; Yuan, Lin; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o553
• a: 9.614 ± 0.0019 Å
• b: 18.578 ± 0.004 Å
• c: 9.905 ± 0.002 Å
• α: 90°
• β: 104.53 ± 0.03°
• γ: 90°
• Cell volume: 1712.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1231
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes