Information card for entry 7214762

Structure parameters

• Formula: C54 H80 N2 O6
• Calculated formula: C54 H80 N2 O6
• SMILES: C(N(Cc1cc(cc(c1O)C)C(C)(C)C)CCOCCOCCN(Cc1c(c(cc(c1)C(C)(C)C)C)O)Cc1cc(cc(c1O)C)C(C)(C)C)c1c(c(cc(c1)C(C)(C)C)C)O
• Title of publication: Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility
• Authors of publication: Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7258
• a: 26.531 ± 0.005 Å
• b: 8.089 ± 0.0016 Å
• c: 25.787 ± 0.005 Å
• α: 90°
• β: 114.46 ± 0.03°
• γ: 90°
• Cell volume: 5037 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No