Information card for entry 7228823

Structure parameters

• Formula: C8 H20 N O4 P
• Calculated formula: C8 H20 N O4 P
• SMILES: CCOP(=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: 22.8176 ± 0.001 Å
• b: 5.9912 ± 0.0003 Å
• c: 18.3149 ± 0.0007 Å
• α: 90°
• β: 96.199 ± 0.004°
• γ: 90°
• Cell volume: 2489.1 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No