Information card for entry 4510815

Structure parameters

• Formula: C27 H27 N3 O12
• Calculated formula: C27 H27 N3 O12
• SMILES: O=C(O)c1cc(O)cc(O)c1.O=C(O)c1cc(O)cc(O)c1.O.N1C(=O)C(N2Cc3c(N)cccc3C2=O)CCC1=O
• Title of publication: Improving the Solubility of Lenalidomide via Cocrystals
• Authors of publication: Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 3069
• a: 9.3808 ± 0.0007 Å
• b: 9.452 ± 0.0007 Å
• c: 15.2326 ± 0.0009 Å
• α: 96.684 ± 0.005°
• β: 97.284 ± 0.005°
• γ: 105.658 ± 0.006°
• Cell volume: 1273.88 ± 0.16 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0566
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No