Information card for entry 4101688

Structure parameters

• Formula: C32 H26 N4 O4
• Calculated formula: C32 H26 N4 O4
• SMILES: O=N(=O)c1cc(c(Nc2c3c(ccc2C)cccc3C)c(N(=O)=O)c1)/C=N\C(c1ccccc1)c1ccccc1
• Title of publication: Axially chiral binaphthyl surrogates with an inner N-H-N hydrogen bond.
• Authors of publication: Kawabata, Takeo; Jiang, Changsheng; Hayashi, Kazuhiro; Tsubaki, Kazunori; Yoshimura, Tomoyuki; Majumdar, Swapan; Sasamori, Takahiro; Tokitoh, Norihiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 1
• Pages of publication: 54 - 55
• a: 14.7861 ± 0.0006 Å
• b: 12.0082 ± 0.0006 Å
• c: 15.9814 ± 0.001 Å
• α: 90°
• β: 105.197 ± 0.004°
• γ: 90°
• Cell volume: 2738.3 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No