Information card for entry 1502433

Structure parameters

• Formula: C15 H13 F2 N O
• Calculated formula: C15 H13 F2 N O
• SMILES: OC1(N(c2ccccc2C1(F)F)C)c1ccccc1
• Title of publication: An efficient difluorohydroxylation of indoles using selectfluor as a fluorinating reagent.
• Authors of publication: Lin, Riyuan; Ding, Shengtao; Shi, Zhuangzhi; Jiao, Ning
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4498 - 4501
• a: 9.9577 ± 0.0006 Å
• b: 13.8736 ± 0.0008 Å
• c: 8.9291 ± 0.0005 Å
• α: 90°
• β: 96.997 ± 0.002°
• γ: 90°
• Cell volume: 1224.36 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No