Information card for entry 2208095

Structure parameters

• Chemical name: 1,6-Bis[3-(hydroxymethyl)phenoxy]hexane
• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: OCc1cccc(c1)OCCCCCCOc1cccc(c1)CO
• Title of publication: 1,6-Bis[3-(hydroxymethyl)phenoxy]hexane
• Authors of publication: Xue-Mei Li; Shan-Shan Gu; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o487 - o488
• a: 14.7385 ± 0.0017 Å
• b: 4.9176 ± 0.0006 Å
• c: 12.776 ± 0.0014 Å
• α: 90°
• β: 103.749 ± 0.002°
• γ: 90°
• Cell volume: 899.45 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes