Information card for entry 1555256

Structure parameters

• Formula: C21 H30 O4 Si
• Calculated formula: C21 H30 O4 Si
• Title of publication: Enyne-2-pyrone [4 + 4]-Photocycloaddition: Sesquiterpene Synthesis and a Low-Temperature Cope Rearrangement.
• Authors of publication: Khatri, Buddha B.; Sieburth, Scott McN
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4360 - 4363
• a: 15.86 ± 0.003 Å
• b: 8.9849 ± 0.0015 Å
• c: 32.138 ± 0.004 Å
• α: 90°
• β: 117.571 ± 0.007°
• γ: 90°
• Cell volume: 4059.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No