Information card for entry 7213344

Structure parameters

• Formula: C16 H22 I N O2 S
• Calculated formula: C16 H18.99 I N O2 S
• Title of publication: A radical based addition‒elimination route for the preparation of indoles
• Authors of publication: Murphy, John A.; Scott, Karen A.; Sinclair, Rhona S.; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lewis, Norman
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 2395
• a: 8.4512 ± 0.0019 Å
• b: 10.55 ± 0.004 Å
• c: 19.373 ± 0.004 Å
• α: 90°
• β: 93.569 ± 0.018°
• γ: 90°
• Cell volume: 1723.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No