Information card for entry 7102581

Structure parameters

• Formula: C79 H70 Cl2 Fe3 N6 O
• Calculated formula: C78.995 H70 Cl2 Fe3 N6 O
• 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: 11.836 ± 0.0002 Å
• b: 16.483 ± 0.0003 Å
• c: 34.766 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6782.6 ± 0.19 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: 0.1423
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No