Information card for entry 7032239

Structure parameters

• Formula: C40 H51 Cl2 N5 O11
• Calculated formula: C40 H51 Cl2 N5 O11
• SMILES: c1(ccncc1)c1cc2c(cc1OCCOCCOCCOCCNC(=O)c1nc(C(=O)NCCOCCOCCOCCO2)ccc1)c1ccncc1.O.C(Cl)Cl
• Title of publication: A luminescent molecular turnstile.
• Authors of publication: Zigon, Nicolas; Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15779 - 15784
• a: 9.0066 ± 0.0001 Å
• b: 13.7975 ± 0.0002 Å
• c: 17.5755 ± 0.0002 Å
• α: 80.842 ± 0.001°
• β: 84.824 ± 0.001°
• γ: 79.822 ± 0.001°
• Cell volume: 2117.97 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No