Information card for entry 2102525

Structure parameters

• Chemical name: 4-Ferrocenylmethylene-2-phenyl-4H-oxazol-5-one
• Formula: C20 H15 Fe N O2
• Calculated formula: C20 H15 Fe N O2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)\C=C1N=C(OC/1=O)c1ccccc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
• Authors of publication: Prof. Clemente Dore Augusto; Prof. Marzotto Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 287 - 292
• a: 10.391 ± 0.002 Å
• b: 7.252 ± 0.003 Å
• c: 20.662 ± 0.002 Å
• α: 90°
• β: 97.47 ± 0.02°
• γ: 90°
• Cell volume: 1543.8 ± 0.7 ų
• Cell temperature: 0 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No