Information card for entry 4503584

Structure parameters

• Formula: C34 H32 N2 O8
• Calculated formula: C34 H32 N2 O8
• SMILES: N(=O)(=O)C.Oc1ccc(C(c2ccc(cc2)O)c2ccc(C(c3ccc(cc3)O)c3ccc(O)cc3)cc2)cc1.N(=O)(=O)C
• Title of publication: Guest Control in the Self-Assembly of H-Shaped Host to Cyclopentanoid (5,43) Net
• Authors of publication: Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1471
• a: 14.959 ± 0.003 Å
• b: 9.0758 ± 0.0016 Å
• c: 22.131 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3004.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No