Information card for entry 4116667

Structure parameters

• Formula: C24 H36
• Calculated formula: C24 H36
• SMILES: C12(CCC1)C1(CCC1)C1(C3(CCC3)C3(CCC3)C32CCC3)CCC1
• Title of publication: A New Rotane Family: Synthesis, Structure, Conformation, and Dynamics of [3.4]-, [4.4]-, [5.4]-, and [6.4]Rotane1
• Authors of publication: Lutz Fitjer; Christoph Steeneck; Said Gaini-Rahimi; Ulrike Schröder; Karl Justus; Peter Puder; Martin Dittmer; Carla Hassler; Jörg Weiser; Mathias Noltemeyer; Markus Teichert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 317 - 328
• a: 7.666 ± 0.002 Å
• b: 7.983 ± 0.001 Å
• c: 8.208 ± 0.002 Å
• α: 69.08 ± 0.01°
• β: 74.08 ± 0.01°
• γ: 76.6 ± 0.01°
• Cell volume: 446.17 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No