Information card for entry 7228826

Structure parameters

• Formula: C9 H22 N O4 P
• Calculated formula: C9 H22 N O4 P
• SMILES: P(=O)([O-])(O)OC(C)C.[NH3+]C1CCCCC1
• 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: 13.4545 ± 0.0012 Å
• b: 6.1394 ± 0.0004 Å
• c: 16.6944 ± 0.0012 Å
• α: 90°
• β: 107.778 ± 0.008°
• γ: 90°
• Cell volume: 1313.15 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.107
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2879
• Weighted residual factors for all reflections included in the refinement: 0.2919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No