Information card for entry 7239977

Structure parameters

• Formula: C11 H11 N3 O
• Calculated formula: C11 H11 N3 O
• Title of publication: Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds
• Authors of publication: Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 7867 - 7878
• a: 11.5123 ± 0.0013 Å
• b: 9.0527 ± 0.0008 Å
• c: 19.5365 ± 0.0018 Å
• α: 90°
• β: 96.232 ± 0.004°
• γ: 90°
• Cell volume: 2024 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No