Information card for entry 2225205

Structure parameters

• Common name: Orphenadrinium picrate picric acid
• Chemical name: N,N-dimethyl-2-[(2-methylphenyl) phenylmethoxy]ethanaminium picrate picric acid
• Formula: C30 H29 N7 O15
• Calculated formula: C30 H29 N7 O15
• SMILES: [O-]c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.Oc1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.O(C(c1ccccc1)c1c(cccc1)C)CC[NH+](C)C
• Title of publication: Orphenadrinium picrate picric acid
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o682 - o683
• a: 11.1914 ± 0.0009 Å
• b: 12.4481 ± 0.001 Å
• c: 22.6127 ± 0.0019 Å
• α: 90°
• β: 93.601 ± 0.001°
• γ: 90°
• Cell volume: 3144 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0677
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes