Information card for entry 1515816

Structure parameters

• Common name: 09189a
• Formula: C32 H32 N2 O7
• Calculated formula: C32 H32 N2 O7
• SMILES: O1[C@@H]2[C@@H](N3C(=O)OC([C@@H]3C(C)C)(c3ccccc3)c3ccccc3)[C@@H](OC(=O)c3ccc(N(=O)=O)cc3)C[C@H]1CC2
• Title of publication: Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones.
• Authors of publication: Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 387 - 392
• a: 6.7539 ± 0.0011 Å
• b: 19.324 ± 0.003 Å
• c: 21.197 ± 0.004 Å
• α: 90°
• β: 94.231 ± 0.003°
• γ: 90°
• Cell volume: 2758.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No