Information card for entry 2230447

Structure parameters

• Chemical name: (Anthracen-9-ylmethyl)benzylammonium chloride
• Formula: C22 H20 Cl N
• Calculated formula: C22 H20 Cl N
• SMILES: [Cl-].[NH2+](Cc1c2ccccc2cc2ccccc12)Cc1ccccc1
• Title of publication: (Anthracen-9-ylmethyl)benzylammonium chloride
• Authors of publication: Han, Jian-Rong; Wang, Wei; Zhen, Xiao-Li; Tian, Xia; Liu, Shou-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1482
• a: 6.7457 ± 0.0013 Å
• b: 10.761 ± 0.002 Å
• c: 13.033 ± 0.003 Å
• α: 94.45 ± 0.03°
• β: 104.84 ± 0.03°
• γ: 104.48 ± 0.03°
• Cell volume: 875.3 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes