Information card for entry 7207598

Structure parameters

• Chemical name: SF 356 (4-pyridyl)-CONH-N=CH-(2-pyridyl), decanedioic acid
• Formula: C34 H42 N8 O8
• Calculated formula: C34 H42 N8 O8
• SMILES: O.O.C(=O)(O)CCCCCCCCC(=O)O.n1ccc(cc1)C(=O)N/N=C/c1ncccc1.n1ccc(cc1)C(=O)N/N=C/c1ncccc1
• Title of publication: The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients
• Authors of publication: Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2435
• a: 6.5516 ± 0.0004 Å
• b: 8.1666 ± 0.0005 Å
• c: 33.7458 ± 0.0019 Å
• α: 94.293 ± 0.003°
• β: 93.041 ± 0.003°
• γ: 105.225 ± 0.003°
• Cell volume: 1732.32 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No