Information card for entry 8102054

Structure parameters

• Chemical name: (7a'SR)-7a'-prop-2-ynyl-1',2',4',6',7',7a'-hexahydrospiro[1,3-dioxolan-2,5'- indene]
• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• Title of publication: Crystal structure of (7a'SR)-7a'-prop-2-ynyl-1',2',4',6',7',7a'-hexahydrospiro [1,3-dioxolan-2,5'-indene], C~14~H~18~O~2~
• Authors of publication: Tzvetkov, N. T.; Neumann, B.; Stammler, H.-G.; Mattay, J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 479 - 480
• a: 15.399 ± 0.0013 Å
• b: 11.646 ± 0.001 Å
• c: 14.849 ± 0.0012 Å
• α: 90°
• β: 117.659 ± 0.004°
• γ: 90°
• Cell volume: 2358.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No