Information card for entry 1556762

Structure parameters

• Formula: C18 H17 N O10
• Calculated formula: C18 H17 N O10
• SMILES: C(=O)(c1ccc(c(c1)O)O)O.C(=O)(c1cc(c(cc1)O)O)O.C1C(=O)NC(=O)C1
• Title of publication: Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.
• Authors of publication: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.
• Journal of publication: IUCrJ
• Year of publication: 2015
• Journal volume: 2
• Journal issue: Pt 3
• Pages of publication: 341 - 351
• a: 6.7323 ± 0.0002 Å
• b: 12.1142 ± 0.0005 Å
• c: 21.2077 ± 0.0008 Å
• α: 90°
• β: 97.146 ± 0.003°
• γ: 90°
• Cell volume: 1716.19 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No