Information card for entry 7118609

Structure parameters

• Formula: C34 H37 Al N2 O7
• Calculated formula: C34 H37 Al N2 O7
• SMILES: [Al]123(Oc4c(c5[n]2c(=C(c2c(cc(cc2C)C)C)c2n3c(c3c(O1)c(OC)ccc3)cc2)cc5)cccc4OC)([OH2])[OH]C.OC
• Title of publication: Synthesis of a new family of ionophores based on aluminum-dipyrrin complexes (ALDIPYs) and their strong recognition of alkaline earth ions.
• Authors of publication: Saikawa, Makoto; Daicho, Manami; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 21
• Pages of publication: 4014 - 4017
• a: 11.5013 ± 0.0005 Å
• b: 11.9173 ± 0.0005 Å
• c: 13.3035 ± 0.0006 Å
• α: 102.745 ± 0.002°
• β: 106.178 ± 0.002°
• γ: 112.038 ± 0.002°
• Cell volume: 1511.12 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1108
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No