Information card for entry 1568018

Structure parameters

• Formula: C31 H53 N2 O3
• Calculated formula: C31 H53 N2 O3
• SMILES: O=[N]1C(C)(C)C(N(=O)=C1c1ccc(OCCCCCCCCCCCCCCCCCC)cc1)(C)C
• Title of publication: Metallogels: a novel approach for the nanostructuration of single-chain magnets.
• Authors of publication: Houard, Felix; Cucinotta, Guiseppe; Guizouarn, Thierry; Suffren, Yan; Calvez, Guillaume; Daiguebonne, Carole; Guillou, Olivier; Artzner, Franck; Mannini, Matteo; Bernot, Kevin
• Journal of publication: Materials horizons
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 547 - 555
• a: 7.4068 ± 0.0013 Å
• b: 44.744 ± 0.008 Å
• c: 8.8243 ± 0.0017 Å
• α: 90°
• β: 94.435 ± 0.007°
• γ: 90°
• Cell volume: 2915.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1548
• Residual factor for significantly intense reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.3323
• Weighted residual factors for all reflections included in the refinement: 0.3456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No