Information card for entry 7037827

Structure parameters

• Formula: C29 H36 N2
• Calculated formula: C29 H36 N2
• SMILES: N(CCC1c2ccccc2c2ccccc12)CCNc1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.
• Authors of publication: Roselló-Merino, Marta; Mansell, Stephen M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6282 - 6293
• a: 11.0999 ± 0.0006 Å
• b: 7.4994 ± 0.0004 Å
• c: 28.9734 ± 0.0015 Å
• α: 90°
• β: 100.948 ± 0.002°
• γ: 90°
• Cell volume: 2367.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No