Information card for entry 4033365

Structure parameters

• Formula: C24 H25 N O5
• Calculated formula: C24 H25 N O5
• SMILES: O/N=C1/C(=C(c2ccccc2)c2ccccc2)C(CC1)(C(=O)OCC)C(=O)OCC
• Title of publication: Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.
• Authors of publication: Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 3
• Pages of publication: 1614 - 1626
• a: 8.93629 ± 0.00017 Å
• b: 9.87328 ± 0.00019 Å
• c: 12.3144 ± 0.0002 Å
• α: 78.986 ± 0.006°
• β: 84.693 ± 0.006°
• γ: 84.898 ± 0.006°
• Cell volume: 1059.09 ± 0.04 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0407
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No