Information card for entry 2243487

Structure parameters

• Chemical name: 6,6'-[(Cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)
• Formula: C24 H33 N O2
• Calculated formula: C24 H33 N O2
• SMILES: Oc1c(cc(cc1C)C)CN(C1CCCCC1)Cc1c(O)c(cc(c1)C)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of the product of the ring-opening reaction of a dihydrobenzoxazine: 6,6'-[(cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)
• Authors of publication: Wannapaiboon, Suttipong; Hanlumyuang, Yuranan; Chansaenpak, Kantapat; Pinyou, Piyanut; Veranitisagul, Chatchai; Laobuthee, Apirat; Wattanathana, Worawat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1239 - 1244
• a: 10.2778 ± 0.0007 Å
• b: 11.4064 ± 0.0011 Å
• c: 17.5586 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2058.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes