Information card for entry 4112973

Structure parameters

• Formula: C28 H31 Nd O
• Calculated formula: C28 H31 Nd O
• SMILES: [Nd]123456789([CH2]=[CH]1C2)(C12C(=C%10[C]4(C=CC=C%10)=[C]32C([c]25[cH]6[cH]7[cH]8[cH]92)(C)C)C=CC=C1)[O]1CCCC1
• Title of publication: Highly Syndiospecific Polymerization of Styrene Catalyzed by Allyl Lanthanide Complexes
• Authors of publication: Evgueni Kirillov; Christian W. Lehmann; Abbas Razavi; Jean-François Carpentier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 12240 - 12241
• a: 28.9132 ± 0.0007 Å
• b: 7.8898 ± 0.0002 Å
• c: 9.5349 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2175.1 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No