Information card for entry 7000426

Structure parameters

• Common name: (E)-3-Ferrocenylmethylidene-1,3-dihydro-2H-indol-2-one
• Chemical name: (E)-3-Ferrocenylmethylidene-1,3-dihydro-2H-indol-2-one
• Formula: C19 H15 Fe N O
• Calculated formula: C19 H15 Fe N O
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)/C=C1/C(=O)Nc2c1cccc2
• Title of publication: Structural and biological investigation of ferrocene-substituted 3-methylidene-1,3-dihydro-2H-indol-2-ones
• Authors of publication: Spencer, John; Mendham, Andrew P.; Kotha, Arun K.; Richardson, Simon C. W.; Hillard, Elizabeth A.; Jaouen, Gérard; Male, Louise; Hursthouse, Michael B.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 918 - 921
• a: 5.9306 ± 0.0001 Å
• b: 13.5489 ± 0.0004 Å
• c: 19.0452 ± 0.0005 Å
• α: 73.8463 ± 0.0013°
• β: 85.2798 ± 0.0015°
• γ: 86.0675 ± 0.0013°
• Cell volume: 1463.27 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No