Information card for entry 2204389

Structure parameters

• Chemical name: 9-Anthracenemethylpropylamine diphenylphosphoride monohydrate
• Formula: C30 H32 N O3 P
• Calculated formula: C30 H32 N O3 P
• SMILES: c12ccccc1cc1ccccc1c2C[NH2+]CCC.c1(ccccc1)P(=O)(c1ccccc1)[O-].O
• Title of publication: <i>N</i>-(9-Anthrylmethyl)propylaminium diphenylphosphinate monohydrate
• Authors of publication: Liu, Qing-Xiang; Song, Hai-Bin; Li, Zheng-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1759 - o1761
• a: 13.572 ± 0.004 Å
• b: 10.37 ± 0.003 Å
• c: 19.435 ± 0.006 Å
• α: 90°
• β: 108.899 ± 0.005°
• γ: 90°
• Cell volume: 2587.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1864
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.2573
• Weighted residual factors for all reflections included in the refinement: 0.3165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes