Information card for entry 7207042

Structure parameters

• Formula: C17 H28 N4 O7 S
• Calculated formula: C17 H28 N4 O7 S
• Title of publication: Chiral drug timolol maleate as a continuous solid solution: Thermochemical and single crystal X-ray evidence
• Authors of publication: Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 648
• a: 9.545 ± 0.004 Å
• b: 10.223 ± 0.003 Å
• c: 13.408 ± 0.006 Å
• α: 72.634 ± 0.006°
• β: 74.208 ± 0.005°
• γ: 62.075 ± 0.005°
• Cell volume: 1089.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1652
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No