Information card for entry 7151312

Structure parameters

• Formula: C31 H27 N O
• Calculated formula: C31 H27 N O
• SMILES: N1(Cc2ccccc2)[C@@H](OC[C@@H]1Cc1ccccc1)c1c2ccccc2cc2ccccc12
• 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: 7.284 ± 0.003 Å
• b: 9.462 ± 0.003 Å
• c: 18.426 ± 0.006 Å
• α: 76.24 ± 0.005°
• β: 84.707 ± 0.006°
• γ: 68.069 ± 0.005°
• Cell volume: 1144.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No