Information card for entry 7228822

Structure parameters

• Formula: C10 H24 N O4 P
• Calculated formula: C10 H24 N O4 P
• SMILES: C(C)(C)(C)OP(=O)([O-])O.C1(CCCCC1)[NH3+]
• Title of publication: Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates
• Authors of publication: Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 17.6894 ± 0.0018 Å
• b: 6.6145 ± 0.0007 Å
• c: 23.997 ± 0.003 Å
• α: 90°
• β: 100.392 ± 0.011°
• γ: 90°
• Cell volume: 2761.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No