Information card for entry 1555641

Structure parameters

• Formula: C17 H15 F N2 O3 S
• Calculated formula: C17 H15 F N2 O3 S
• SMILES: S(=O)(=O)(NC(=C1\N(c2ccccc2C1=O)C)\c1c(F)cccc1)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: 11.9912 ± 0.0007 Å
• b: 15.1463 ± 0.0007 Å
• c: 9.459 ± 0.0006 Å
• α: 90°
• β: 111.614 ± 0.007°
• γ: 90°
• Cell volume: 1597.17 ± 0.17 ų
• Cell temperature: 170.2 K
• Ambient diffraction temperature: 170.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No