Information card for entry 7102580

Structure parameters

• Formula: C75 H80 Cl2 Fe3 N6 O4
• Calculated formula: C75 H78 Cl1.998 Fe3 N6 O4
• Title of publication: A chiral molecular bowl containing three ferrocenes: synthesis and its efficiency in an optical resolution of 1,1'-bi-2-naphthol.
• Authors of publication: Hong, Bog Ki; Lee, In Su; Shin, Dong Mok; Chung, Young Keun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 936 - 937
• a: 13.586 ± 0.001 Å
• b: 20.43 ± 0.001 Å
• c: 25.727 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7140.8 ± 0.7 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: 0.1039
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No