Information card for entry 1556065

Structure parameters

• Common name: Compound10a_prime
• Formula: C15 H18 O
• Calculated formula: C15 H18 O
• SMILES: OCC1=C2c3c(cccc3)[C@@H]([C@H]2CCC1)C.OCC1=C2c3ccccc3[C@H]([C@@H]2CCC1)C
• Title of publication: Achieving Site Selectivity in Metal-Catalyzed Electron-Rich Carbene Transfer Reactions from N-Tosylhydrazones.
• Authors of publication: Su, Naijing; Deng, Tianning; Wink, Donald J.; Driver, Tom G.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 3990 - 3993
• a: 34.436 ± 0.005 Å
• b: 8.0667 ± 0.0012 Å
• c: 24.298 ± 0.006 Å
• α: 90°
• β: 134.486 ± 0.001°
• γ: 90°
• Cell volume: 4815.3 ± 1.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• 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: 0.091
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No