Information card for entry 8101382

Structure parameters

• Formula: C20 H15 Fe N O2
• Calculated formula: C20 H15 Fe N O2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)/C=C1\N=C(OC1=O)c1ccccc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Crystal structure of 4-ferrocenylmethylene-2-phenyl-4H-oxazol-5-one, C~20~H~15~FeNO~2~
• Authors of publication: Ponikwar, Walter; Bauer, Werner; Beck, Wolfgang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 625 - 626
• a: 7.252 ± 0.003 Å
• b: 10.391 ± 0.002 Å
• c: 20.662 ± 0.002 Å
• α: 82.53°
• β: 89.9°
• γ: 89.71°
• Cell volume: 1543.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No