Information card for entry 2108741

Structure parameters

• Formula: C32 H27 F3 N4 O3
• Calculated formula: C32 H27 F3 N4 O3
• Title of publication: Polymorphism and surface diversity arising from stress-induced transformations ‒ the case of multicomponent forms of carbamazepine
• Authors of publication: Schneider-Rauber, Gabriela; Arhangelskis, Mihails; Bond, Andrew D.; Ho, Raimundo; Nere, Nandkishor; Bordawekar, Shailendra; Sheikh, Ahmad Y.; Jones, William
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 54 - 67
• a: 5.2419 ± 0.0002 Å
• b: 15.0825 ± 0.0005 Å
• c: 18.4638 ± 0.0006 Å
• α: 103.874 ± 0.002°
• β: 93.756 ± 0.002°
• γ: 97.404 ± 0.002°
• Cell volume: 1398.3 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1215
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes