Information card for entry 8107422

Structure parameters

• Formula: C17 H12 I N O3
• Calculated formula: C17 H12 I N O3
• Title of publication: Crystal structure of 1-(2-iodobenzoyl)-6-methoxy-1H-indole-3-carbaldehyde, C17H12INO3
• Authors of publication: Sun, Yi-Fan; Tang, Qian-Qian; Zhang, Yue; Yang, Fan; Liu, Yong-Jun; Cong, Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 299 - 301
• a: 7.5319 ± 0.0005 Å
• b: 7.9745 ± 0.0005 Å
• c: 25.1313 ± 0.0017 Å
• α: 90°
• β: 98.459 ± 0.007°
• γ: 90°
• Cell volume: 1493.04 ± 0.17 ų
• Cell temperature: 199.98 ± 0.1 K
• Ambient diffraction temperature: 199.98 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No