Information card for entry 7240141

Structure parameters

• Common name: 1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine
• Chemical name: 1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine
• Formula: C16 H17 N5 O2
• Calculated formula: C16 H17 N5 O2
• Title of publication: Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors
• Authors of publication: Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 11.7424 ± 0.0009 Å
• b: 11.8549 ± 0.0008 Å
• c: 12.719 ± 0.0007 Å
• α: 104.86 ± 0.005°
• β: 93.046 ± 0.006°
• γ: 112.269 ± 0.007°
• Cell volume: 1561.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No