Information card for entry 7115844

Structure parameters

• Formula: C39 H26 N2 O
• Calculated formula: C39 H26 N2 O
• SMILES: c12c(c(c(cc1cccc2)c1ccc2c(c3c(cc2)cccn3)n1)O)c1c2c(ccc1c1ccc(cc1)C)cccc2
• Title of publication: Design of novel chiral N,N,O-tridentate phenanthroline ligands and their application to enantioselective addition of organozinc reagents to aldehydes
• Authors of publication: Yuki Naganawa; Tomoya Namba; Tomotaka Aoyama; Kentaro Shoji; Hisao Nishiyama
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13224
• a: 7.8103 ± 0.0007 Å
• b: 17.0401 ± 0.0015 Å
• c: 20.5041 ± 0.0016 Å
• α: 90°
• β: 97.144 ± 0.002°
• γ: 90°
• Cell volume: 2707.7 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No