Information card for entry 7224232

Structure parameters

• Chemical name: 111 GASM hydrate
• Formula: C11 H13 N O8
• Calculated formula: C11 H13 N O8
• SMILES: c1(cc(c(c(c1)O)O)O)C(=O)O.C1(=O)CCC(=O)N1.O
• Title of publication: A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals
• Authors of publication: Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 3191
• a: 4.7352 ± 0.0002 Å
• b: 16.3413 ± 0.0005 Å
• c: 15.6208 ± 0.0009 Å
• α: 90°
• β: 91.454 ± 0.004°
• γ: 90°
• Cell volume: 1208.34 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No