Information card for entry 2216103

Structure parameters

• Chemical name: (3SR,2'SR)-3-(2'-Anilino-2'-phenylethyl)phtalide
• Formula: C22 H19 N O2
• Calculated formula: C22 H19 N O2
• SMILES: [C@H](C[C@H]1c2c(C(=O)O1)cccc2)(c1ccccc1)Nc1ccccc1.[C@@H](C[C@@H]1c2c(C(=O)O1)cccc2)(c1ccccc1)Nc1ccccc1
• Title of publication: (3<i>SR</i>,2'<i>SR</i>)-3-(2'-Anilino-2'-phenylethyl)phthalide
• Authors of publication: Laghrib, Naoual; Azrour, Mohamed; Daran, Jean-Claude; Fihia Rachid; Majidia Lhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4333 - o4333
• a: 6.303 ± 0.002 Å
• b: 7.774 ± 0.002 Å
• c: 17.466 ± 0.005 Å
• α: 88.15 ± 0.03°
• β: 88.99 ± 0.04°
• γ: 86.62 ± 0.04°
• Cell volume: 853.8 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes