Information card for entry 2214136

Structure parameters

• Chemical name: N-(anthracen-10-ylmethyl)picolinamide
• Formula: C21 H16 N2 O
• Calculated formula: C21 H16 N2 O
• SMILES: O=C(NCc1c2ccccc2cc2ccccc12)c1ncccc1
• Title of publication: <i>N</i>-(9-Anthrylmethyl)picolinamide
• Authors of publication: Gu, Shao-Jin; Lin, Jin; Jing, Lin-Hai; Zhang, Huan-Xia; Qin, Da-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3205
• a: 10.0182 ± 0.0003 Å
• b: 8.1082 ± 0.0003 Å
• c: 19.2442 ± 0.0006 Å
• α: 90°
• β: 103.07 ± 0.001°
• γ: 90°
• Cell volume: 1522.7 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes