Information card for entry 4336186

Structure parameters

• Formula: C36 H34 O
• Calculated formula: C36 H34 O
• SMILES: Oc1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: 3d Early Transition Metal Complexes Supported by a New Sterically Demanding Aryloxide Ligand
• Authors of publication: Keith Searles; Ba L. Tran; Maren Pink; Chun-Hsing Chen; Daniel J. Mindiola
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11126 - 11135
• a: 5.7469 ± 0.0002 Å
• b: 19.1069 ± 0.0008 Å
• c: 24.8188 ± 0.0009 Å
• α: 90°
• β: 92.146 ± 0.002°
• γ: 90°
• Cell volume: 2723.33 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections: 0.1328
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No