Information card for entry 7013861

Structure parameters

• Common name: 4
• Formula: C17 H24 N2
• Calculated formula: C17 H24 N2
• SMILES: n1ccccc1c1[nH]c(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Pyridylpyrrolides as alternatives to cyclometalated phenylpyridine ligands: synthesis and characterization of luminescent zinc and boron pyridylpyrrolide complexes.
• Authors of publication: Klappa, Jamie J.; Geers, Sarah A.; Schmidtke, Sarah J.; MacManus-Spencer, Laura A; McNeill, Kristopher
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 883 - 891
• a: 19.14 ± 0.005 Å
• b: 11.221 ± 0.003 Å
• c: 14.373 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3086.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No