Information card for entry 7108754

Structure parameters

• Formula: C25 H23 N O5
• Calculated formula: C25 H23 N O5
• SMILES: C1(=O)c2ccccc2N(C1(c1ccc(c(c1)OC)OC)C(=O)OC)Cc1ccccc1
• Title of publication: Palladium-catalyzed insertion of alpha-diazocarbonyl compounds for the synthesis of cyclic amino esters
• Authors of publication: Ping-Xin Zhou; Zhao-Zhao Zhou; Zi-Sheng Chen; Yu-Ying Ye; Lian-Biao Zhao; Yan-Fang Yang; Xiao-Feng Xia; Jian-Yi Luo; Yong-Min Liang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 561
• a: 8.436 ± 0.004 Å
• b: 14.318 ± 0.007 Å
• c: 17.219 ± 0.009 Å
• α: 90°
• β: 93.109 ± 0.005°
• γ: 90°
• Cell volume: 2076.8 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No