Information card for entry 1000508

Structure parameters

• Chemical name: Methyl (4S*,4aS*,8aS*)-4-t-butoxy-8a-methoxy-4a,5,6,7,8,8a-hexahydro-4H-chromene-2-carboxylate
• Formula: C16 H26 O5
• Calculated formula: C16 H26 O5
• Title of publication: Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters
• Authors of publication: Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R.
• Journal of publication: European Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 2002
• Journal issue: 3
• Pages of publication: 514 - 525
• a: 13.7805 ± 0.0012 Å
• b: 29.081 ± 0.005 Å
• c: 8.4303 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3378.45 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0535
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No