Information card for entry 1515412

Structure parameters

• Formula: C24 H34
• Calculated formula: C24 H34
• SMILES: C1CC1C1(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: 10.5317 ± 0.0002 Å
• b: 13.1456 ± 0.0002 Å
• c: 13.7434 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1902.71 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 2
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1291
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9501
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No