Information card for entry 7054728

Structure parameters

• Formula: C10 H15 N4 O5 P
• Calculated formula: C10 H15 N4 O5 P
• SMILES: P(=O)(NNC(=O)OC)(NNC(=O)OC)c1ccccc1
• 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: 12.2908 ± 0.0007 Å
• b: 7.0588 ± 0.0004 Å
• c: 17.6586 ± 0.001 Å
• α: 90°
• β: 109.425 ± 0.001°
• γ: 90°
• Cell volume: 1444.82 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No