Information card for entry 2205169

Structure parameters

• Chemical name: N,N-Bis(anthracen-9-ylmethyl)propylamine
• Formula: C33 H29 N
• Calculated formula: C33 H29 N
• SMILES: CCCN(Cc1c2ccccc2cc2c1cccc2)Cc1c2ccccc2cc2c1cccc2
• Title of publication: <i>N</i>,<i>N</i>-Bis(anthracen-9-ylmethyl)propylamine
• Authors of publication: Liu, Qing-Xiang; Song, Hai-Bin; Zheng-Ming Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o385 - o386
• a: 9.891 ± 0.004 Å
• b: 10.188 ± 0.004 Å
• c: 13.592 ± 0.005 Å
• α: 106.179 ± 0.007°
• β: 106.822 ± 0.007°
• γ: 97.75 ± 0.007°
• Cell volume: 1224 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.197
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes