Information card for entry 1555642

Structure parameters

• Formula: C20 H20 N2 O3 S
• Calculated formula: C20 H20 N2 O3 S
• SMILES: S(=O)(=O)(/N=C1/c2n(c3ccccc3c2OC(C1)C)C)c1ccc(cc1)C
• Title of publication: α-Amidino Rhodium Carbenes: Key Intermediates for the Preparation of (E)-2-Aminomethylene-3-oxoindoles and Pyranoindoles.
• Authors of publication: Qian, Jing; Sheng, Guorong; Huang, Kai; Liu, Shaojie; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 3682 - 3685
• a: 5.5675 ± 0.0005 Å
• b: 8.631 ± 0.0006 Å
• c: 19.5676 ± 0.0016 Å
• α: 77.417 ± 0.006°
• β: 83.698 ± 0.007°
• γ: 82.645 ± 0.006°
• Cell volume: 906.89 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0778
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No