Information card for entry 2101558

Structure parameters

• Formula: C8 H10 O2
• Calculated formula: C8 H11 O2
• Title of publication: Experimental charge density study of 7-dispiro[2.0.2.1]heptane carboxylic acid
• Authors of publication: Yufit, D. S.; Mallinson, P. R.; Muir, K. W.; Kozhushkov, S. I.; De Meijere, A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 668 - 676
• a: 6.386 ± 0.001 Å
• b: 11.264 ± 0.001 Å
• c: 10.105 ± 0.001 Å
• α: 90°
• β: 103.78 ± 0.01°
• γ: 90°
• Cell volume: 705.95 ± 0.15 ų
• Cell temperature: 100 ± 0.3 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0472
• Goodness-of-fit parameter for significantly intense reflections: 2.52
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No