Information card for entry 4505000

Structure parameters

• Formula: C40 H30 N4 O2
• Calculated formula: C40 H30 N4 O2
• SMILES: Oc1c(c2ccccc2cc1)c1c(O)ccc2ccccc12.n1ccc(c2ccncc2)cc1.n1ccc(c2ccncc2)cc1
• Title of publication: Enclathration of Aromatic Molecules by the O−H···N Supramolecular Adducts of Racemic-bis-β-naphthol and 4,4‘-Bipyridine
• Authors of publication: Biradha, Kumar; Mahata, Goutam
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 61
• a: 9.894 ± 0.002 Å
• b: 18.022 ± 0.004 Å
• c: 18.045 ± 0.004 Å
• α: 90°
• β: 101.07 ± 0.03°
• γ: 90°
• Cell volume: 3157.7 ± 1.2 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: 0.1995
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No