Information card for entry 7054727

Structure parameters

• Formula: C14 H15 N2 O5 P
• Calculated formula: C14 H15 N2 O5 P
• SMILES: P(=O)(Oc1ccccc1)(Oc1ccccc1)NNC(=O)OC
• Title of publication: Synthesis and structural study of some new phosphorus(v) hydrazide compounds: spectroscopic evidence and a theoretical approach
• Authors of publication: Gholivand, Khodayar; Molaei, Foroogh
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 3747
• a: 5.757 ± 0.0002 Å
• b: 8.9928 ± 0.0003 Å
• c: 14.7059 ± 0.0006 Å
• α: 78.99 ± 0.001°
• β: 86.504 ± 0.001°
• γ: 87.806 ± 0.001°
• Cell volume: 745.67 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No