Information card for entry 7239975

Structure parameters

• Formula: C15 H19 N3 O
• Calculated formula: C15 H19 N3 O
• SMILES: Oc1c(/N=C/c2n(C)ccn2)cc(C(C)(C)C)cc1
• 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: 36.239 ± 0.006 Å
• b: 7.157 ± 0.0012 Å
• c: 11.2151 ± 0.0019 Å
• α: 90°
• β: 104.478 ± 0.003°
• γ: 90°
• Cell volume: 2816.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No