Information card for entry 1504636

Structure parameters

• Common name: none
• Chemical name: OUR CODE NAME = 2c
• Formula: C28 H12 Cl4 O8
• Calculated formula: C28 H12 Cl4 O8
• SMILES: Clc1ccc2OC(=O)c3c(OC(=O)c4c(OC(=O)c5c(OC(=O)c2c1)ccc(Cl)c5)ccc(Cl)c4)ccc(Cl)c3
• Title of publication: Inclusion and gelation properties of novel tetra- and hexasalicylide derivatives.
• Authors of publication: Tanaka, Koichi; Hayashi, Satoshi; Caira, Mino R.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 2119 - 2122
• a: 13.2927 ± 0.0003 Å
• b: 13.2927 ± 0.0003 Å
• c: 7.3547 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1299.55 ± 0.05 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No