Information card for entry 7102882

Structure parameters

• Formula: C62 H74 N4 O14
• Calculated formula: C62 H66 N4 O14
• Title of publication: A novel chiral porous metal-organic framework: asymmetric ring opening reaction of epoxide with amine in the chiral open space.
• Authors of publication: Tanaka, Koichi; Oda, Shinji; Shiro, Motoo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 820 - 822
• a: 13.7716 ± 0.0006 Å
• b: 15.0164 ± 0.0007 Å
• c: 15.8042 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3268.3 ± 0.3 ų
• Cell temperature: 100.1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.3256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No