Information card for entry 4113328

Structure parameters

• Formula: C29 H38
• Calculated formula: C29 H38
• SMILES: C1c2cc3C(CCC(c3cc2c2cc3C(CCC(c3cc12)(C)C)(C)C)(C)C)(C)C
• Title of publication: A Sterically Expanded "Constrained Geometry Catalyst" for Highly Active Olefin Polymerization and Copolymerization: An Unyielding Comonomer Effect
• Authors of publication: Levi J. Irwin; Joseph H. Reibenspies; Stephen A. Miller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16716 - 16717
• a: 5.7601 ± 0.0015 Å
• b: 16.182 ± 0.004 Å
• c: 24.356 ± 0.006 Å
• α: 90°
• β: 92.95 ± 0.004°
• γ: 90°
• Cell volume: 2267.2 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0898
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No