Information card for entry 2016642

Structure parameters

• Chemical name: 4-Iodoquinoline
• Formula: C9 H6 I N
• Calculated formula: C9 H6 I N
• SMILES: Ic1ccnc2c1cccc2
• Title of publication: 4-Iodoquinoline
• Authors of publication: Singh, Latika; Mobin, Shaikh M.; Talwar, Satya S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o316 - o318
• a: 14.1973 ± 0.0017 Å
• b: 4.3526 ± 0.0004 Å
• c: 14.9151 ± 0.0014 Å
• α: 90°
• β: 115.484 ± 0.008°
• γ: 90°
• Cell volume: 832.01 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes