Information card for entry 1519819

Structure parameters

• Formula: C18 H22 N O4 P
• Calculated formula: C18 H22 N O4 P
• SMILES: c1(ccccc1)P(=O)(c1ccccc1)ON(C)C(=O)OC(C)(C)C
• Title of publication: C18H22NO4P
• Authors of publication: Tomkinson, N; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 321
• a: 8.34 ± 0.0002 Å
• b: 10.7116 ± 0.0002 Å
• c: 11.0362 ± 0.0003 Å
• α: 107.886 ± 0.001°
• β: 96.645 ± 0.001°
• γ: 99.433 ± 0.002°
• Cell volume: 910.99 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No