Information card for entry 4028587

Structure parameters

• Common name: 1,5-bis(octyliminomethyl)-2,6-dihydroxynaphthalene
• Formula: C28 H42 N2 O2
• Calculated formula: C28 H42 N2 O2
• SMILES: c12c(ccc(c2/C=N/CCCCCCCC)O)c(c(O)cc1)/C=N/CCCCCCCC
• Title of publication: Mutual Interference between Intramolecular Proton Transfer Sites through the Adjoining π-Conjugated System in Schiff Bases of Double-Headed, Fused Salicylaldehydes
• Authors of publication: Hirohiko Houjou; Hajime Shingai; Keisuke Yagi; Isao Yoshikawa; Koji Araki
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 9021 - 9031
• a: 49.85 ± 0.05 Å
• b: 4.657 ± 0.005 Å
• c: 10.848 ± 0.011 Å
• α: 90°
• β: 99.408 ± 0.014°
• γ: 90°
• Cell volume: 2485 ± 4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No