Information card for entry 4069066

Structure parameters

• Formula: C36 H34 Fe O7
• Calculated formula: C36 H34 Fe O7
• SMILES: [Fe]12345678([c]9(C(=O)/C=C/C(C(=O)\C=C\c%10cc(OC)cc(OC)c%10)=C(\C=C\c%10cc(OC)cc(OC)c%10)O)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Synthesis of the First Ferrocenyl Derivatives of Curcuminoids
• Authors of publication: Arezki, Anusch; Brulé, Emilie; Jaouen, Gérard
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1606
• a: 10.3827 ± 0.0014 Å
• b: 10.428 ± 0.002 Å
• c: 15.76 ± 0.004 Å
• α: 90.968 ± 0.015°
• β: 106.858 ± 0.015°
• γ: 107.403 ± 0.012°
• Cell volume: 1548.2 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0807
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No