Information card for entry 7159585

Structure parameters

• Formula: C25 H27 N O5
• Calculated formula: C25 H27 N O5
• SMILES: O(C(=O)[C@@H]1[C@@]2(C(=O)N(Cc3ccccc3)c3c2cccc3)[C@H]1C(=O)OCC)C(C)(C)C.O(C(=O)[C@H]1[C@]2(C(=O)N(Cc3ccccc3)c3c2cccc3)[C@@H]1C(=O)OCC)C(C)(C)C
• Title of publication: Borane catalyzed transesterification of <i>tert</i>-butyl esters using α-aryl α-diazoesters.
• Authors of publication: Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 41
• Pages of publication: 8279 - 8283
• a: 15.6014 ± 0.0004 Å
• b: 16.7367 ± 0.0004 Å
• c: 17.4153 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4547.41 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No