Information card for entry 2216701

Structure parameters

• Chemical name: 1,4-Bis(dimorpholinomethyl)benzene
• Formula: C24 H38 N4 O4
• Calculated formula: C24 H38 N4 O4
• SMILES: O1CCN(CC1)C(c1ccc(cc1)C(N1CCOCC1)N1CCOCC1)N1CCOCC1
• Title of publication: 1,4-Bis(dimorpholinomethyl)benzene
• Authors of publication: Wang, Dan; Liu, Shixiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4604 - o4604
• a: 11.5497 ± 0.0006 Å
• b: 8.6735 ± 0.0004 Å
• c: 12.1645 ± 0.0006 Å
• α: 90°
• β: 90.241 ± 0.0012°
• γ: 90°
• Cell volume: 1218.58 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes