Information card for entry 2108586

Structure parameters

• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• SMILES: C1(=O)[C@H]2[C@@H](C(=O)N1)[C@@]1(C(=C[C@H]2O1)C)C.C1(=O)[C@@H]2[C@H](C(=O)N1)[C@]1(C(=C[C@@H]2O1)C)C
• Title of publication: Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals
• Authors of publication: Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 2
• a: 7.8898 ± 0.0006 Å
• b: 8.5729 ± 0.0006 Å
• c: 14.2922 ± 0.0011 Å
• α: 88.333 ± 0.006°
• β: 89.646 ± 0.007°
• γ: 73.099 ± 0.007°
• Cell volume: 924.56 ± 0.12 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes