Information card for entry 7701310

Structure parameters

• Formula: C24 H19 N3 O3
• Calculated formula: C24 H19 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: 9.3727 ± 0.0005 Å
• b: 9.5629 ± 0.0005 Å
• c: 10.6715 ± 0.0005 Å
• α: 85.613 ± 0.004°
• β: 89.352 ± 0.004°
• γ: 78.428 ± 0.004°
• Cell volume: 934.29 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0992
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No