Information card for entry 8105578

Structure parameters

• Formula: C17 H10 O
• Calculated formula: C17 H10 O
• Title of publication: Crystal structure of pyrene-4-aldehyde, C17H10O
• Authors of publication: Bao-Xi, Miao; Li-Fang, Zhang; Yun, Zhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 173 - 175
• a: 9.3121 ± 0.0019 Å
• b: 8.0958 ± 0.0016 Å
• c: 14.944 ± 0.003 Å
• α: 90°
• β: 106.06 ± 0.03°
• γ: 90°
• Cell volume: 1082.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No