Information card for entry 7102382

Structure parameters

• Formula: C25 H29 N O6
• Calculated formula: C25 H29 N O6
• SMILES: O(C(=O)[C@]1(c2ccccc2)C[C@]1(COC(=O)c1ccc(N(=O)=O)cc1)C(C)C)C(C)(C)C.O(C(=O)[C@@]1(c2ccccc2)C[C@@]1(COC(=O)c1ccc(N(=O)=O)cc1)C(C)C)C(C)(C)C
• Title of publication: Construction of stereodefined 1,1,2,2-tetrasubstituted cyclopropanes by acid catalyzed reaction of aryldiazoacetates and alpha-substituted acroleins.
• Authors of publication: Hashimoto, Takuya; Naganawa, Yuki; Kano, Taichi; Maruoka, Keiji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 48
• Pages of publication: 5143 - 5145
• a: 11.04 ± 0.003 Å
• b: 7.235 ± 0.002 Å
• c: 28.628 ± 0.007 Å
• α: 90°
• β: 91.016 ± 0.012°
• γ: 90°
• Cell volume: 2286.3 ± 1.1 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No