Information card for entry 2004900

Structure parameters

• Formula: C7 H12 O5
• Calculated formula: C7 H12 O5
• Title of publication: Synthesis and Relative Configuration of (±)-(1α,2β,3β,4α)-1,2,3,4-Cyclopentanetetrol 1-Acetate
• Authors of publication: Zukerman-Schpector, J.; Caracelli, I.; Varanda, N. A.; Brockson, U.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1298 - 1299
• a: 6.374 ± 0.001 Å
• b: 9.917 ± 0.002 Å
• c: 26.743 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1690.5 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections: 0.3476
• Weighted residual factors for significantly intense reflections: 0.1185
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No