Information card for entry 1515697

Structure parameters

• Formula: C19 H17 Fe N O
• Calculated formula: C19 H17 Fe N O
• SMILES: C1(=O)C(c2ccccc2N1)C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• Title of publication: Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.
• Authors of publication: Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 600 - 608
• a: 6.0028 ± 0.0002 Å
• b: 21.513 ± 0.0012 Å
• c: 11.3488 ± 0.0005 Å
• α: 90°
• β: 93.01 ± 0.003°
• γ: 90°
• Cell volume: 1463.54 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No