Information card for entry 2006878

Structure parameters

• Chemical name: (1'-Benzoylferrocenyl)diphenylmethanol
• Formula: C30 H24 Fe O2
• Calculated formula: C30 H24 Fe O2
• Title of publication: (1'-Benzoylferrocenyl)diphenylmethanol; a Centrosymmetric ^4^~4~(16) Dimer Generated by C—H···O Hydrogen Bonding
• Authors of publication: Glidewell, Christopher; Ahmed, S. Zaka; Gallagher, John F.; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1775 - 1778
• a: 13.3551 ± 0.0019 Å
• b: 12.4868 ± 0.0008 Å
• c: 14.7273 ± 0.0015 Å
• α: 90°
• β: 112.604 ± 0.01°
• γ: 90°
• Cell volume: 2267.3 ± 0.5 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• 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: 0.1037
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No