Information card for entry 2215621

Structure parameters

• Chemical name: 2,2'-[(Butane-1,4-diyldioxy)bis(nitrilomethylidyne)]dinaphthalene
• Formula: C26 H24 N2 O2
• Calculated formula: C26 H24 N2 O2
• SMILES: C(CO/N=C/c1cccc2c1cccc2)CCO/N=C/c1cccc2c1cccc2
• Title of publication: 2,2'-[(Butane-1,4-diyldioxy)bis(nitrilomethylidyne)]dinaphthalene
• Authors of publication: Junyan Shi; Wenkui Dong; Yanping Zhang; Suxia Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4080 - o4080
• a: 9.091 ± 0.0018 Å
• b: 5.8499 ± 0.0013 Å
• c: 20.019 ± 0.003 Å
• α: 90°
• β: 94.779 ± 0.002°
• γ: 90°
• Cell volume: 1060.9 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes