Information card for entry 7151313

Structure parameters

• Formula: C31 H30 Cl2 N2 O3
• Calculated formula: C31 H30 Cl2 N2 O3
• SMILES: N1(C(=O)[C@@H]2C3c4ccccc4C([C@H]4N([C@H](CO4)Cc4ccccc4)C)(c4ccccc34)[C@@H]2C1=O)C.ClCCl
• Title of publication: N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives
• Authors of publication: Adams, Harry; Bawa, Ramadan A.; Jones, Simon
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 22
• Pages of publication: 4206
• a: 7.6834 ± 0.001 Å
• b: 10.5554 ± 0.0014 Å
• c: 16.299 ± 0.002 Å
• α: 90°
• β: 93.517 ± 0.002°
• γ: 90°
• Cell volume: 1319.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No