Information card for entry 7018658

Structure parameters

• Formula: C25 H30 N6 O2
• Calculated formula: C25 H22.5 N6 O2
• Title of publication: Chelation-controlled molecular morphology: aminal to imine rearrangements.
• Authors of publication: Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4335 - 4357
• a: 11.0543 ± 0.0006 Å
• b: 13.973 ± 0.0012 Å
• c: 15.4963 ± 0.0013 Å
• α: 78.685 ± 0.004°
• β: 84.184 ± 0.004°
• γ: 83.431 ± 0.005°
• Cell volume: 2324 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No