Information card for entry 7019715

Structure parameters

• Formula: C33 H29 N
• Calculated formula: C33 H29 N
• SMILES: Nc1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.
• Authors of publication: Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9304 - 9315
• a: 9.5232 ± 0.0015 Å
• b: 11.2997 ± 0.0015 Å
• c: 22.111 ± 0.003 Å
• α: 90°
• β: 93.139 ± 0.006°
• γ: 90°
• Cell volume: 2375.8 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.1599
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No