Information card for entry 1565801

Structure parameters

• Formula: C21 H19 N O5
• Calculated formula: C21 H19 N O5
• SMILES: C(=O)(CCN1C(=O)[C@H]2C3c4ccccc4C([C@H]2C1=O)c1c3cccc1)O.O
• Title of publication: Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex
• Authors of publication: Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2019
• Journal volume: 498
• Pages of publication: 119167
• a: 11.532 ± 0.002 Å
• b: 9.3559 ± 0.0018 Å
• c: 16.905 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1823.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No