Information card for entry 7008774

Structure parameters

• Formula: C25 H22 N2 O4
• Calculated formula: C25 H22 N2 O4
• SMILES: O=C1C(=CNCCCNC=C2C(=O)c3c(O)cccc3C=C2)C=Cc2c1c(O)ccc2
• Title of publication: A 1,8-naphthalenediol-based unsymmetrical dinucleating ligand.
• Authors of publication: Glaser, Thorsten; Liratzis, Ioannis; Fröhlich, Roland
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 17
• Pages of publication: 2892 - 2898
• a: 14.731 ± 0.001 Å
• b: 8.65 ± 0.001 Å
• c: 16.954 ± 0.001 Å
• α: 90°
• β: 109.91 ± 0.01°
• γ: 90°
• Cell volume: 2031.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No