Information card for entry 1517905

Structure parameters

• Formula: C27 H34 O3 Si
• Calculated formula: C27 H34 O3 Si
• SMILES: C1(=Cc2c([C@@H](C1)[C@@H](C(=O)OC)/C=C/c1ccccc1)cccc2)O[Si](C(C)(C)C)(C)C
• Title of publication: Synthesis of Complex Hexacyclic Compounds via a Tandem Rh(II)-Catalyzed Double-Cyclopropanation/Cope Rearrangement/Diels-Alder Reaction.
• Authors of publication: Spangler, Jillian E.; Lian, Yajing; Raikar, Sandeep N.; Davies, Huw M. L.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4794 - 4797
• a: 6.0234 ± 0.0001 Å
• b: 10.8338 ± 0.0003 Å
• c: 37.8963 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2472.97 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No