Information card for entry 7030052

Structure parameters

• Formula: C15 H25 N O2
• Calculated formula: C15 H25 N O2
• SMILES: c1(c(ccc(c1)C(C)(C)C)OC)N(C(C)(C)C)O
• Title of publication: A homoleptic η(2) hydroxylaminato Ce(IV) complex with S4 symmetry.
• Authors of publication: Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6300 - 6303
• a: 11.392 ± 0.0007 Å
• b: 10.5969 ± 0.0006 Å
• c: 12.6402 ± 0.0008 Å
• α: 90°
• β: 95.99 ± 0.003°
• γ: 90°
• Cell volume: 1517.59 ± 0.16 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0393
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No