Information card for entry 2105472

Structure parameters

• Common name: tm16
• Formula: C16 H18 N O4 P
• Calculated formula: C16 H18 N O4 P
• SMILES: c1(ccccc1)OP(=O)(N1CCOCC1)Oc1ccccc1
• Title of publication: Hirshfeld surface analysis of new phosphoramidates
• Authors of publication: Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 260 - 270
• a: 6.4231 ± 0.0002 Å
• b: 9.1119 ± 0.0003 Å
• c: 13.6799 ± 0.0004 Å
• α: 90°
• β: 94.137 ± 0.002°
• γ: 90°
• Cell volume: 798.55 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No