Information card for entry 7018657

Structure parameters

• Formula: C23 H24 N6 O
• Calculated formula: C23 H24 N6 O
• 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: 9.482 ± 0.0019 Å
• b: 26.344 ± 0.005 Å
• c: 7.739 ± 0.0015 Å
• α: 90°
• β: 100.12 ± 0.03°
• γ: 90°
• Cell volume: 1903.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.088
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.76999 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No