Information card for entry 4516565

Structure parameters

• Formula: C33 H37 N2 O8 Zn2
• Calculated formula: C33 H37 N2 O8 Zn2
• Title of publication: Comparative Study of In Situ and Presynthesized X-Pillar Ligand in Self-Assembly of Homochiral Porous Frameworks
• Authors of publication: Nguyen, Edward T.; Zhao, Xiang; Ta, Daniel; Nguyen, Phuong-Lan; Bu, Xianhui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 5939
• a: 18.4486 ± 0.0011 Å
• b: 19.2044 ± 0.0012 Å
• c: 31.3758 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11116.3 ± 1.2 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 5
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No