Information card for entry 7053951

Structure parameters

• Formula: C19 H16 Fe O
• Calculated formula: C19 H16 Fe O
• SMILES: C#CCOc1ccc(cc1)[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: (4-Ferrocenylphenyl)propargyl ether derived carbohydrate triazoles: influence of a hydrophobic linker on the electrochemical and cytotoxic properties
• Authors of publication: Deepthi, Sadanala Bhavya; Trivedi, Rajiv; Giribabu, Lingamallu; Sujitha, Pombala; Ganesh Kumar, C.; Sridhar, B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 1
• Pages of publication: 227
• a: 17.913 ± 0.002 Å
• b: 9.5455 ± 0.0012 Å
• c: 8.8695 ± 0.0011 Å
• α: 90°
• β: 99.613 ± 0.002°
• γ: 90°
• Cell volume: 1495.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No