Information card for entry 2239335

Structure parameters

• Common name: {[2-Methyl-2-(phenoxymethyl)propane-1,3-diyl]bis(oxy)}dibenzene
• Formula: C23 H24 O3
• Calculated formula: C23 H24 O3
• SMILES: CC(COc1ccccc1)(COc1ccccc1)COc1ccccc1
• Title of publication: {[2-Methyl-2-(phenoxymethyl)propane-1,3-diyl]bis(oxy)}dibenzene
• Authors of publication: Moussa, Ziad; Al-Masri, Harbi Tomah; Shraim, Amjed; Fettouhi, Mohammed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o539
• a: 13.5755 ± 0.0015 Å
• b: 6.2829 ± 0.0007 Å
• c: 22.514 ± 0.003 Å
• α: 90°
• β: 91.033 ± 0.002°
• γ: 90°
• Cell volume: 1920 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes