Information card for entry 2006687

Structure parameters

• Chemical name: (E)-2-Buten-1-yl-(S)-N-(2'-methoxy-3-methyl-[1,1']binaphthalenyl-2-yl)- propanimidate
• Formula: C29 H29 N O2
• Calculated formula: C29 H29 N O2
• SMILES: c1(c(c(cc2ccccc12)C)/N=C(CC)/OC/C=C/C)c1c(ccc2ccccc12)OC
• Title of publication: (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate
• Authors of publication: Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1655 - 1657
• a: 7.786 ± 0.001 Å
• b: 17.431 ± 0.001 Å
• c: 8.749 ± 0.001 Å
• α: 90°
• β: 98.24 ± 0.01°
• γ: 90°
• Cell volume: 1175.1 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.0904
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No