Information card for entry 7214409

Structure parameters

• Chemical name: SF11 (4-pyridyl-CONH-(CH2)8-NHCO-(4-pyridyl), succinic acid
• Formula: C24 H32 N4 O6
• Calculated formula: C24 H32 N4 O6
• SMILES: c1cc(ccn1)C(=O)NCCCCCCCCNC(=O)c1ccncc1.C(=O)(CCC(=O)O)O
• Title of publication: Altering physical properties of pharmaceutical co-crystals in a systematic manner
• Authors of publication: Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 5870
• a: 5.1072 ± 0.0004 Å
• b: 5.1171 ± 0.0004 Å
• c: 22.119 ± 0.002 Å
• α: 96.134 ± 0.006°
• β: 94.037 ± 0.006°
• γ: 91.34 ± 0.006°
• Cell volume: 573.05 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No