Information card for entry 2105470

Structure parameters

• Formula: C15 H24 F2 N3 O2 P
• Calculated formula: C15 H24 F2 N3 O2 P
• SMILES: c1(cccc(c1C(=O)NP(=O)(N(CC)CC)N(CC)CC)F)F
• 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: 9.8932 ± 0.0017 Å
• b: 10.5022 ± 0.0019 Å
• c: 19.228 ± 0.004 Å
• α: 79.853 ± 0.003°
• β: 81.589 ± 0.002°
• γ: 62.86 ± 0.002°
• Cell volume: 1745.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1058
• 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