Information card for entry 1572014

Structure parameters

• Formula: C26 H35 N O3 Si
• Calculated formula: C26 H35 N O3 Si
• SMILES: [Si](O/N=C/[C@]12[C@@H]([C@@]1(C(=O)OC/C=C/c1ccccc1)[C@H]1C=C[C@@H]2C1)C)(C(C)(C)C)(C)C.[Si](O/N=C/[C@@]12[C@H]([C@]1(C(=O)OC/C=C/c1ccccc1)[C@@H]1C=C[C@H]2C1)C)(C(C)(C)C)(C)C
• Title of publication: Photoinduced [4 + 2]-cycloaddition reactions of vinyldiazo compounds for the construction of heterocyclic and bicyclic rings.
• Authors of publication: Bao, Ming; Bohórquez, Arnold R Romero; Arman, Hadi; Doyle, Michael P.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 12042 - 12046
• a: 6.0332 ± 0.0001 Å
• b: 11.399 ± 0.0003 Å
• c: 17.7451 ± 0.0003 Å
• α: 84.659 ± 0.002°
• β: 88.405 ± 0.002°
• γ: 83.737 ± 0.002°
• Cell volume: 1207.63 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No