Information card for entry 7105556

Structure parameters

• Formula: C10 H14 O3
• Calculated formula: C10 H14 O3
• SMILES: OCC(O)COc1ccc(cc1)C
• Title of publication: p-Tolyl glycerol ether: is it possible to find more simple molecular organogelator with pronounced chirality driven properties?
• Authors of publication: Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Akhatova, Flyura S.; Gubaidullin, Aidar T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3523 - 3525
• a: 17.264 ± 0.002 Å
• b: 4.7225 ± 0.0007 Å
• c: 11.9008 ± 0.0017 Å
• α: 90°
• β: 90.091 ± 0.002°
• γ: 90°
• Cell volume: 970.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No