Information card for entry 2208639

Structure parameters

• Common name: bis(imidazoline) pyridine
• Chemical name: 2,6-bis[(4S)-isopropyl-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]pyridine
• Formula: C29 H33 N5
• Calculated formula: C29 H33 N5
• SMILES: n1c(cccc1C1=N[C@H](CN1c1ccccc1)C(C)C)C1=N[C@H](CN1c1ccccc1)C(C)C
• Title of publication: A new chiral ligand: 2,6-bis[4(<i>S</i>)-isopropyl-1-phenyl-4,5-dihydro-1<i>H</i>-imidazol-2-yl]pyridine
• Authors of publication: Ma, Kuoyan; Cheng, Liang; Gau, Han-Mou; You, Jingsong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1595 - o1597
• a: 9.809 ± 0.001 Å
• b: 9.2892 ± 0.001 Å
• c: 14.1428 ± 0.0015 Å
• α: 90°
• β: 95.909 ± 0.002°
• γ: 90°
• Cell volume: 1281.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes