Information card for entry 8101103

Structure parameters

• Formula: C16 H15 N2 O5 P
• Calculated formula: C16 H15 N2 O5 P
• SMILES: P(=O)(OC)(OC)C1(N=C1c1ccccc1)c1ccc(N(=O)=O)cc1
• Title of publication: Crystal structure of dimethyl [2-(4'-nitrophenyl)-3-phenyl-2H-azirin- 2-yl]phosphonate, C~16~H~15~N~2~O~5~P
• Authors of publication: Turner, K. A.; Sasse, W. H. F.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 569 - 570
• a: 5.912 ± 0.001 Å
• b: 22 ± 0.001 Å
• c: 13.006 ± 0.002 Å
• α: 90°
• β: 101.7 ± 0.01°
• γ: 90°
• Cell volume: 1656.5 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No