Information card for entry 1548224

Structure parameters

• Common name: The salt of 3,5-dimethoxybenzoic acid (Fdash) and (1R,2S)-norephedrine (T)
• Formula: C18 H23 N O5
• Calculated formula: C18 H23 N O5
• SMILES: [O-]C(=O)c1cc(OC)cc(OC)c1.O[C@@H]([C@@H]([NH3+])C)c1ccccc1
• Title of publication: Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically
• Authors of publication: Chunji Li; Joonil Cho; Kuniyo Yamada; Daisuke Hashizume; Fumito Araoka; Hideo Takezoe; Takuzo Aida; Yasuhiro Ishida
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 8418
• a: 12.6748 ± 0.0003 Å
• b: 5.3055 ± 0.0001 Å
• c: 13.6447 ± 0.0003 Å
• α: 90°
• β: 106.479 ± 0.0008°
• γ: 90°
• Cell volume: 879.86 ± 0.03 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0642
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No