Information card for entry 7228825

Structure parameters

• Formula: C3 H9 O4 P
• Calculated formula: C3 H9 O4 P
• SMILES: P(=O)(OC(C)C)(O)O
• 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: 14.6655 ± 0.0002 Å
• b: 14.6655 ± 0.0002 Å
• c: 5.8852 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1265.77 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No