Information card for entry 7000404

Structure parameters

• Formula: C19 H19 N3
• Calculated formula: C19 H19 N3
• SMILES: c1ccc2cccc(c2n1)/N=C(/C(C)(C)C)c1ccccn1
• Title of publication: Direct synthesis of a new class of N,N,N ligands based on 1,2-dihydro-1,10-phenanthroline backbone and their coordination to Pd complexes
• Authors of publication: Rangheard, Claudine; Proriol, David; Olivier-Bourbigou, Hélène; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 5
• Pages of publication: 770 - 772
• a: 8.6143 ± 0.0004 Å
• b: 16.7777 ± 0.0009 Å
• c: 12.7282 ± 0.0005 Å
• α: 90°
• β: 120.663 ± 0.003°
• γ: 90°
• Cell volume: 1582.38 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0982
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No