Information card for entry 2011076

Structure parameters

• Chemical name: 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5,5]undecane, 3,9,-dimethyl-3,9-dioxide
• Formula: C7 H14 O6 P2
• Calculated formula: C7 H14 O6 P2
• Title of publication: A pentaerythritol-derived spirodiphosphonate
• Authors of publication: Elnagar, Hassan Y.; Ranken, Paul F.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 905 - 906
• a: 16.456 ± 0.0014 Å
• b: 5.5761 ± 0.0009 Å
• c: 11.9512 ± 0.0012 Å
• α: 90°
• β: 94.517 ± 0.007°
• γ: 90°
• Cell volume: 1093.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections: 1.983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes