Information card for entry 7227942

Structure parameters

• Common name: alonnphcl
• Chemical name: LBu-AlMe2
• Formula: C24 H32 Al Cl N2 O
• Calculated formula: C24 H32 Al Cl N2 O
• SMILES: [Al]1(Oc2c(cc(cc2C=[N]1N=Cc1ccc(Cl)cc1)C(C)(C)C)C(C)(C)C)(C)C
• Title of publication: Investigation of the dinuclear effect of aluminum complexes in the ring-opening polymerization of ε-caprolactone
• Authors of publication: Hsu, Chiao-Yin; Tseng, Hsi-Ching; Vandavasi, Jaya Kishore; Lu, Wei-Yi; Wang, Li-Fang; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsing-Yin; Chen, Hsuan-Ying
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 31
• Pages of publication: 18851
• a: 11.806 ± 0.0004 Å
• b: 13.343 ± 0.0004 Å
• c: 15.4244 ± 0.0005 Å
• α: 90°
• β: 91.18 ± 0.001°
• γ: 90°
• Cell volume: 2429.25 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No