Information card for entry 7011161

Structure parameters

• Formula: C19 H30 Cl N3 O
• Calculated formula: C19 H30 Cl N3 O
• Title of publication: Synthesis, characterisation and polymerisation of vinylbenzene-substituted triazacyclododecanes and their transition metal complexes
• Authors of publication: Long, Nicholas J.; Parker, David G.; Speyer, Paul R.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2142
• a: 10.5465 ± 0.0004 Å
• b: 12.7121 ± 0.0007 Å
• c: 14.9812 ± 0.0006 Å
• α: 90°
• β: 102.868 ± 0.004°
• γ: 90°
• Cell volume: 1958.06 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.1106
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No