Information card for entry 7040133

Structure parameters

• Formula: C33 H33 Cl N2
• Calculated formula: C33 H33 Cl N2
• SMILES: C(=c1ccc([nH+]1)c1c(C)cc(cc1C)C)(c1ccccc1)c1ccc(c2c(cc(cc2C)C)C)[nH]1.[Cl-]
• Title of publication: Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.
• Authors of publication: Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13787 - 13797
• a: 14.4443 ± 0.0006 Å
• b: 18.4741 ± 0.0007 Å
• c: 9.5304 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2543.14 ± 0.16 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No