Information card for entry 4088950

Structure parameters

• Formula: C25 H26 Fe N2 O2
• Calculated formula: C25 H26 Fe N2 O2
• Title of publication: Synthesis of Bioorganometallic Nanomolar-Potent CB2Agonists Containing a Ferrocene Unit
• Authors of publication: Sansook, Supojjanee; Tuo, Wei; Lemaire, Lucas; Tourteau, Aurélien; Barczyk, Amélie; Dezitter, Xavier; Klupsch, Frédérique; Leleu-Chavain, Natascha; Tizzard, Graham J.; Coles, Simon J.; Millet, Régis; Spencer, John
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 19
• Pages of publication: 3361
• a: 17.3183 ± 0.0011 Å
• b: 7.3202 ± 0.0005 Å
• c: 16.8361 ± 0.0011 Å
• α: 90°
• β: 102.149 ± 0.002°
• γ: 90°
• Cell volume: 2086.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No