Information card for entry 7220691

Structure parameters

• Chemical name: bis(4-butyloxyacetophenon)azine
• Formula: C24 H28 N2 O4
• Calculated formula: C24 H28 N2 O4
• Title of publication: A topotactic transition in a liquid crystal compound
• Authors of publication: Centore, Roberto; Capitolino, Valeria; Cerciello, Francesca; Tuzi, Angela; Borbone, Fabio; Carella, Antonio; Roviello, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 46
• Pages of publication: 8864
• a: 6.155 ± 0.0019 Å
• b: 7.64 ± 0.0018 Å
• c: 23.508 ± 0.007 Å
• α: 96.36 ± 0.03°
• β: 91.92 ± 0.03°
• γ: 94.01 ± 0.03°
• Cell volume: 1095 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No