Information card for entry 7222247

Structure parameters

• Formula: C20 H28 Cl N O6 S
• Calculated formula: C20 H28 Cl N O6 S
• Title of publication: Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen
• Authors of publication: Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 8264
• a: 5.49 ± 0.0011 Å
• b: 13.4 ± 0.003 Å
• c: 28.91 ± 0.006 Å
• α: 90°
• β: 90.9 ± 0.03°
• γ: 90°
• Cell volume: 2126.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1152
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No