Information card for entry 7213137

Structure parameters

• Formula: C26 H32 N2 O4
• Calculated formula: C26 H32 N2 O4
• SMILES: O[C@@](CCC(=O)N1CCC1)(c1ccccc1)[C@](O)(CCC(=O)N1CCC1)c1ccccc1
• Title of publication: Photoinduced diastereoselective pinacolisation of 4-oxo-4-phenylbutanamides to 4,5-dihydroxy-4,5-diphenyloctanediamides
• Authors of publication: Lindemann, Ute; Neuburger, Markus; Neuburger-Zehnder, Margareta; Wulff-Molder, Dirk; Wessig, Pablo
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 2029
• a: 10.118 ± 0.001 Å
• b: 10.114 ± 0.002 Å
• c: 11.853 ± 0.001 Å
• α: 90°
• β: 104.2 ± 0.3°
• γ: 90°
• Cell volume: 1175.9 ± 1.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0482
• Goodness-of-fit parameter for significantly intense reflections: 0.9783
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No