Information card for entry 1555257

Structure parameters

• Formula: C20 H28 O3 Si
• Calculated formula: C20 H28 O3 Si
• SMILES: [Si]1(OC[C@]23C1=CC(=C)C[C@]1(OC3=O)CCCC1=C2)(C(C)C)C(C)C.[Si]1(OC[C@@]23C1=CC(=C)C[C@@]1(OC3=O)CCCC1=C2)(C(C)C)C(C)C
• 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: 34.403 ± 0.003 Å
• b: 6.7764 ± 0.0006 Å
• c: 16.1333 ± 0.0016 Å
• α: 90°
• β: 92.333 ± 0.002°
• γ: 90°
• Cell volume: 3758 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No