Information card for entry 2204921

Structure parameters

• Chemical name: (Anthracen-9-ylmethyl)diethylamine at 100K
• Formula: C19 H21 N
• Calculated formula: C19 H21 N
• SMILES: N(Cc1c2ccccc2cc2ccccc12)(CC)CC
• Title of publication: (Anthracen-9-ylmethyl)diethylamine at 100K
• Authors of publication: Howie, R. Alan; Kindness, Andrew; McKay, Michael G.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o52 - o54
• a: 8.523 ± 0.001 Å
• b: 22.678 ± 0.005 Å
• c: 7.769 ± 0.002 Å
• α: 90°
• β: 93.388 ± 0.015°
• γ: 90°
• Cell volume: 1499 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes