Information card for entry 7215017

Structure parameters

• Common name: GBPL4HBA
• Formula: C16 H21 N O4
• Calculated formula: C16 H21 N O4
• Title of publication: Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions
• Authors of publication: Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4801
• a: 6.39 ± 0.0004 Å
• b: 10.078 ± 0.0007 Å
• c: 12.226 ± 0.0008 Å
• α: 81.714 ± 0.003°
• β: 82.039 ± 0.003°
• γ: 76.597 ± 0.003°
• Cell volume: 753.37 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No