Information card for entry 7151840

Structure parameters

• Formula: C33 H33 N5 O5
• Calculated formula: C33 H33 N5 O5
• SMILES: Oc1ccc2c(n3cncc3)cccc2c1c1c(O)ccc2c1cccc2n1ccnc1.N(C=O)(C)C.O1CCOCC1
• Title of publication: Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.
• Authors of publication: Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 2618 - 2621
• a: 9.261 ± 0.0003 Å
• b: 16.4271 ± 0.0005 Å
• c: 19.8316 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3017.01 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No