Information card for entry 1515411

Structure parameters

• Formula: C21 H30
• Calculated formula: C21 H30
• SMILES: C1(CC1)C1(CC1)C1(CC1)C1(CC1)C1(CC1)C1(CC1)C1CC1
• Title of publication: Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes
• Authors of publication: Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 229
• a: 9.5922 ± 0.0005 Å
• b: 7.2501 ± 0.0004 Å
• c: 24.0793 ± 0.0012 Å
• α: 90°
• β: 95.81 ± 0.002°
• γ: 90°
• Cell volume: 1665.98 ± 0.15 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 2
• 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: 0.1161
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1134
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No