Information card for entry 7127348

Structure parameters

• Formula: C19 H14 N2 O
• Calculated formula: C19 H14 N2 O
• SMILES: O=C1c2c3c(ccc2NCc2ncccc2)cccc3C=C1
• Title of publication: Designing a Cr-catalyst bearing redox non-innocent phenalenyl-based ligand towards hydrosilylative CO₂ functionalization.
• Authors of publication: Chakraborty, Soumi; Das, Arpan; Ahmed, Jasimuddin; Barman, Sayani; Mandal, Swadhin K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 89
• Pages of publication: 13788 - 13791
• a: 6.1633 ± 0.0009 Å
• b: 10.2878 ± 0.0014 Å
• c: 11.0233 ± 0.0016 Å
• α: 88.901 ± 0.011°
• β: 81.769 ± 0.012°
• γ: 81.501 ± 0.012°
• Cell volume: 684.15 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0925
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No