Information card for entry 7119734

Structure parameters

• Formula: C15 H24 N2 O4 S
• Calculated formula: C15 H24 N2 O4 S
• Title of publication: Symmetry assisted tuning of bending and brittle multi-component forms of probenecid.
• Authors of publication: Rao Khandavilli, U. B.; Bhogala, Balakrishna R.; Maguire, Anita R.; Lawrence, Simon E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 3381 - 3384
• a: 5.718 ± 0.004 Å
• b: 7.307 ± 0.004 Å
• c: 21.178 ± 0.013 Å
• α: 92.355 ± 0.017°
• β: 91.732 ± 0.016°
• γ: 93.192 ± 0.016°
• Cell volume: 882.3 ± 1 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.1164
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No