Information card for entry 2015330

Structure parameters

• Chemical name: (SFc)-diphenylphosphino-[2-(2-dibenzo-1H-1λ^5^-phospholyl)ferrocen-1- yl]methane
• Formula: C35 H28 Fe P2
• Calculated formula: C35 H28 Fe P2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19CP(c1ccccc1)c1ccccc1)p1c2c(c3c1cccc3)cccc2)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Three new enantiomerically pure ferrocenylphosphole compounds
• Authors of publication: José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m188 - m191
• a: 10.9693 ± 0.001 Å
• b: 11.0436 ± 0.001 Å
• c: 22.678 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2747.2 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes