Information card for entry 4077417

Structure parameters

• Chemical name: (S)-4,5-(1,2-ferrocenediyl)-6-methyl-3,3-diphenyl- [1,3]azaphosphinine-2-carbaldehyde
• Formula: C26 H22 Fe N O P
• Calculated formula: C26 H22 Fe N O P
• Title of publication: A New Class of Planar-Chiral Ferrocenes: Serendipitous Formation of 1,2-Ferrocenediylazaphosphinines
• Authors of publication: Hwang, Geun-Ho; Ryu, Eun-Sook; Park, Dong-Kyu; Shim, Sang Chul; Cho, Chan Sik; Kim, Tae-Jeong; Jeong, Jong Hwa; Cheong, Minserk
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 5784
• a: 8.6289 ± 0.0006 Å
• b: 13.4215 ± 0.0005 Å
• c: 18.5382 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2147 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No