Information card for entry 2013204

Structure parameters

• Chemical name: (E)-2-(2-adamantylidene)-3-(1-ferrocenylethylidene)succinic anhydride
• Formula: C26 H26 Fe O3
• Calculated formula: C26 H26 Fe O3
• SMILES: [Fe]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[c]23C(=C1C(C(=O)OC1=O)=C1C2CC3CC1CC(C2)C3)C
• Title of publication: (<i>E</i>)-2-(2-Adamantylidene)-3-(1-ferrocenylethylidene)succinic anhydride
• Authors of publication: Al-Shihry, Shar S.; Linden, Anthony
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m40 - m42
• a: 9.5997 ± 0.0001 Å
• b: 10.4336 ± 0.0001 Å
• c: 10.6348 ± 0.0002 Å
• α: 72.0422 ± 0.0006°
• β: 85.3458 ± 0.0005°
• γ: 80.8752 ± 0.0006°
• Cell volume: 999.87 ± 0.02 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.039
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes