Information card for entry 2211785

Structure parameters

• Chemical name: N,N'-Bis(2-hydroxy-1-naphthaldimine)-o-phenylenediamine methanol hemisolvate
• Formula: C28.5 H22 N2 O2.5
• Calculated formula: C28.5 H22 N2 O2.5
• SMILES: O=C1C=Cc2c(/C1=C/Nc1ccccc1/N=C\c1c(O)ccc3c1cccc3)cccc2.CO
• Title of publication: 1-{2-[(2-Hydroxy-1-naphthyl)methyleneamino]phenyliminiomethyl}-2-naphtholate methanol hemisolvate
• Authors of publication: Naser Eltaher Eltayeb; Siang Guan Teoh; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Kamarulazizi Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o117 - o119
• a: 19.361 ± 0.0003 Å
• b: 12.5103 ± 0.0002 Å
• c: 17.7128 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4290.25 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes