Information card for entry 2006981

Structure parameters

• Chemical name: (S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide
• Formula: C27 H25 N O4
• Calculated formula: C27 H26 N O4
• SMILES: C1(=O)CC(/C(=C(C)/C(=O)OC)O1)NC(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide
• Authors of publication: Nastopoulos, Vassilios; Athanassopoulos, Constantinos; Papaioannou, Dionissios; Francis, George W.; Kavounis, Constantin; (S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 267 - 269
• a: 10.88 ± 0.004 Å
• b: 8.875 ± 0.003 Å
• c: 11.845 ± 0.005 Å
• α: 90°
• β: 100.89 ± 0.06°
• γ: 90°
• Cell volume: 1123.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No