Information card for entry 2238461

Structure parameters

• Chemical name: (<i>E</i>)-6,8-Dichloro-3-{[(naphthalen-1-ylmethyl)iminio]methyl}-2<i>H</i>-chromen-4-olate
• Formula: C21 H15 Cl2 N O2
• Calculated formula: C21 H15 Cl2 N O2
• SMILES: Clc1cc(Cl)c2c(c1)C(=O)/C(=C\NCc1cccc3c1cccc3)CO2
• Title of publication: (<i>E</i>)-6,8-Dichloro-3-{[(naphthalen-1-ylmethyl)iminiumyl]methyl}-2<i>H</i>-chromen-4-olate
• Authors of publication: Ishikawa, Yoshinobu; Motohashi, Yuya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1226
• a: 16.286 ± 0.007 Å
• b: 8.91 ± 0.006 Å
• c: 12.008 ± 0.009 Å
• α: 90°
• β: 102.65 ± 0.04°
• γ: 90°
• Cell volume: 1700.2 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes