Information card for entry 1502283

Structure parameters

• Formula: C15 H19 N O2 S
• Calculated formula: C15 H19 N O2 S
• SMILES: S(=O)(=O)(N1C=C[C@@]2(C[C@@]2(C1)C)C)c1ccc(cc1)C
• Title of publication: Chiral diene-phosphine tridentate ligands for rhodium-catalyzed asymmetric cycloisomerization of 1,6-enynes.
• Authors of publication: Nishimura, Takahiro; Maeda, Yuko; Hayashi, Tamio
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 3674 - 3677
• a: 10.645 ± 0.002 Å
• b: 10.645 ± 0.002 Å
• c: 22.016 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2160.5 ± 0.8 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No