Information card for entry 7209002

Structure parameters

• Formula: C35 H45 N3 O11
• Calculated formula: C35 H45 N3 O11
• SMILES: C(=O)(c1ccc(cc1)c1ccc(c2c1OCCOCCOCCO2)c1ccc(C(=O)O)cc1)O.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue
• Authors of publication: Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 841
• a: 9.2812 ± 0.0005 Å
• b: 10.8141 ± 0.0007 Å
• c: 17.5421 ± 0.0012 Å
• α: 90.146 ± 0.004°
• β: 96.815 ± 0.004°
• γ: 99.763 ± 0.003°
• Cell volume: 1722.44 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No