Information card for entry 2003828

Structure parameters

• Chemical name: 3-[(tertbutyl)-2-Hydroxy-3H-Naphth-3-ylidene)methyl]aldamine
• Formula: C15 H17 N O
• Calculated formula: C15 H17 N O
• SMILES: c1c(c(cc2ccccc12)/C=N/C(C)(C)C)O
• Title of publication: Two 2,3-Naphthalenic Schiff Bases
• Authors of publication: Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1643 - 1646
• a: 6.076 ± 0.002 Å
• b: 14.055 ± 0.006 Å
• c: 15.087 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1288.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections: 0.1643
• Weighted residual factors for significantly intense reflections: 0.1597
• Goodness-of-fit parameter for all reflections: 1.153
• Goodness-of-fit parameter for significantly intense reflections: 1.164
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No