Information card for entry 4066997

Structure parameters

• Formula: C28 H25 O Y
• Calculated formula: C28 H25 O Y
• SMILES: [Y]123456789%10%11%12([O]=C(c%13ccccc%13)c%13ccccc%13)([cH]%13[cH]4[cH]3[cH]2[cH]1%13)([cH]1[cH]6[cH]5[cH]7[cH]81)[cH]1[cH]9[cH]%10[cH]%11[cH]%121
• Title of publication: Reactions of Cp3Y with Benzophenone: A Simple and Efficient Method for Transformation of Unsubstituted Cyclopentadienyl to Bridgedansa-Cyclopentadienyl/Alkoxyl Ligand
• Authors of publication: Li, Xiaoqing; Hong, Jianquan; Liu, Ruiting; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4606
• a: 8.352 ± 0.004 Å
• b: 12.126 ± 0.005 Å
• c: 12.525 ± 0.005 Å
• α: 110.628 ± 0.005°
• β: 102.559 ± 0.005°
• γ: 99.626 ± 0.005°
• Cell volume: 1116.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No