Information card for entry 7044378

Structure parameters

• Formula: C37 H45 N3 O10
• Calculated formula: C37 H45 N3 O10
• SMILES: c12cc(c(cc1c1ccncc1)OCCOCCOCCOCCOc1nc(OCCOCCOCCOCCO2)ccc1)c1ccncc1
• Title of publication: Symmetrical or non-symmetrical luminescent turnstiles based on hydroquinone stators and rotors bearing pyridyl or p-dimethyaminopyridyl coordinating units
• Authors of publication: Godde, Berangere; Jouaiti, Abdelaziz; Fluck, Audrey; Kyritsakas, Nathalie; Mauro, Matteo; Hosseini, Mir Wais
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.2725 ± 0.0004 Å
• b: 32.2079 ± 0.001 Å
• c: 8.3689 ± 0.0004 Å
• α: 90°
• β: 103.62 ± 0.002°
• γ: 90°
• Cell volume: 3476.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1169
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2387
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No