Information card for entry 7701308

Structure parameters

• Formula: C22 H13 N3 O3
• Calculated formula: C22 H13 N3 O3
• Title of publication: Tuning the reaction pathways of phenanthroline-Schiff bases: routes to novel phenanthroline ligands.
• Authors of publication: Ahmed, Muhib; Rooney, Denise; McCann, Malachy; Casey, Jamie; O'Shea, Katie; Twamley, Brendan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 15283 - 15289
• a: 11.2937 ± 0.001 Å
• b: 16.2786 ± 0.0015 Å
• c: 9.2757 ± 0.001 Å
• α: 90°
• β: 103.225 ± 0.003°
• γ: 90°
• Cell volume: 1660.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1408
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No