Information card for entry 7151540

Structure parameters

• Chemical name: (1S,2S,3S,6R,8S)-4-Benzyl-2-O-(tert-butyldimethylsilyl)-3-methyl-11-oxa-4-aza- tricyclo-[6.2.1.01.6] undec-9-en-5-one
• Formula: C23 H33 N O3 Si
• Calculated formula: C23 H33 N O3 Si
• Title of publication: Stereochemistry of intramolecular Diels?Alder furan (IMDAF) reactions of furyl-substituted chiral ethanolamides
• Authors of publication: Tromp, Reynier A.; Brussee, Johannes; van der Gen, Arne
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 20
• Pages of publication: 3592
• a: 19.214 ± 0.006 Å
• b: 16.341 ± 0.004 Å
• c: 7.1838 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2255.5 ± 0.9 ų
• Cell temperature: 145 K
• Ambient diffraction temperature: 145 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for all reflections: 1.684
• Goodness-of-fit parameter for significantly intense reflections: 2.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No