Information card for entry 2218016

Structure parameters

• Chemical name: 4-[(E)-2-Ferrocenylethenyl]-1,8-naphthalic anhydride
• Formula: C24 H16 Fe O3
• Calculated formula: C24 H16 Fe O3
• SMILES: [Fe]12345678([c]9([cH]1[cH]7[cH]4[cH]39)\C=C\c1c3c4c(C(=O)OC(=O)c4ccc3)cc1)[cH]1[cH]6[cH]5[cH]8[cH]21
• Title of publication: 4-[(<i>E</i>)-2-Ferrocenylethenyl]-1,8-naphthalic anhydride
• Authors of publication: Munro, Natasha H.; Hanton, Lyall R.; McAdam, C. John; McMorran, David A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m572
• a: 10.107 ± 0.0006 Å
• b: 10.0046 ± 0.0006 Å
• c: 16.8721 ± 0.001 Å
• α: 90°
• β: 92.878 ± 0.003°
• γ: 90°
• Cell volume: 1703.9 ± 0.18 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes