Information card for entry 1546833

Structure parameters

• Formula: C25 H24 N2 O3 S
• Calculated formula: C25 H24 N2 O3 S
• SMILES: S(=O)(=O)(NC(=C1Nc2ccccc2C1(C)C)C(=O)c1ccccc1)c1ccc(cc1)C
• Title of publication: Carbon-Carbon Bond Formation by Reaction of Rhodium Azavinylcarbenes with Secondary Amides: Access to Indigo Analogues from Isatins.
• Authors of publication: Meng, Jiang; Jia, Renmeng; Leng, Jiaying; Wen, Min; Yu, Xingxin; Deng, Wei-Ping
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4520 - 4523
• a: 11.8841 ± 0.0012 Å
• b: 15.7939 ± 0.0017 Å
• c: 24.186 ± 0.003 Å
• α: 90°
• β: 92.407 ± 0.003°
• γ: 90°
• Cell volume: 4535.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1231
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No