Information card for entry 2000704

Structure parameters

• Formula: C16 H20 N O3 P
• Calculated formula: C16 H20 N O3 P
• Title of publication: Structure of <i>r</i>-5-cyano-5-methyl-<i>t</i>-4-methyl-<i>t</i>-7-oxo-7-phenyl-8-oxa-7-phosphabicyclo[4.3.0]non-2-ene monohydrate
• Authors of publication: Bartczak, T. J.; Wolf, W. M.; Stoeckli-Evans, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1502 - 1504
• a: 12.058 ± 0.004 Å
• b: 7.791 ± 0.001 Å
• c: 17.006 ± 0.003 Å
• α: 90°
• β: 91.74 ± 0.03°
• γ: 90°
• Cell volume: 1596.9 ± 0.6 ų
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No