Information card for entry 7215018

Structure parameters

• Common name: GBPLFA
• Formula: C11 H18 N O3
• Calculated formula: C11 H18 N O3
• 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: 10.704 ± 0.0003 Å
• b: 6.011 ± 0.0004 Å
• c: 17.802 ± 0.006 Å
• α: 90°
• β: 101.372 ± 0.003°
• γ: 90°
• Cell volume: 1122.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1068
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No