Information card for entry 2221071

Structure parameters

• Chemical name: Bis{6-[4-(2-ethyoxyphenyldiazenyl)phenoxy]hexanol} monohydrate
• Formula: C40 H54 N4 O7
• Calculated formula: C40 H54 N4 O7
• SMILES: O.OCCCCCCOc1ccc(N=Nc2ccccc2OCC)cc1
• Title of publication: Bis{6-[4-(2-ethyoxyphenyldiazenyl)phenoxy]hexanol} monohydrate
• Authors of publication: Lu, Ran-zhe; Zhang, Min; Han, Lu-na; Wang, Bin; Wang, Hai-bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o509
• a: 7.4586 ± 0.0007 Å
• b: 11.5674 ± 0.0011 Å
• c: 24.07 ± 0.002 Å
• α: 90.46 ± 0.03°
• β: 98.46 ± 0.03°
• γ: 106.1 ± 0.03°
• Cell volume: 1970.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1476
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes