Information card for entry 7201984

Structure parameters

• Common name: cbzsua
• Formula: C17 H15 N2 O3
• Calculated formula: C17 H15 N2 O3
• Title of publication: A rapid thermal method for cocrystal screening
• Authors of publication: Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 665
• a: 17.536 ± 0.002 Å
• b: 5.1229 ± 0.0007 Å
• c: 18.308 ± 0.002 Å
• α: 90°
• β: 118.505 ± 0.002°
• γ: 90°
• Cell volume: 1445.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No