Information card for entry 7036303

Structure parameters

• Formula: C25 H26 N2 O2
• Calculated formula: C25 H26 N2 O2
• SMILES: OC(=C\C(=N\c1c(c(/N=C/c2c(O)ccc3ccccc23)c(cc1C)C)C)C)/C
• Title of publication: Self-assembled copper(ii) metallacycles derived from asymmetric Schiff base ligands: efficient hosts for ADP/ATP in phosphate buffer.
• Authors of publication: Kumar, Amit; Pandey, Rampal; Kumar, Ashish; Gupta, Rakesh Kumar; Dubey, Mrigendra; Mohammed, Akbar; Mobin, Shaikh M.; Pandey, Daya Shankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17152 - 17165
• a: 8.0864 ± 0.0004 Å
• b: 9.4932 ± 0.0005 Å
• c: 14.1197 ± 0.0006 Å
• α: 76.55 ± 0.004°
• β: 81.398 ± 0.004°
• γ: 86.999 ± 0.004°
• Cell volume: 1042.15 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.158
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No