Information card for entry 2216414

Structure parameters

• Chemical name: N,N-Bis(2-bromobenzyl)-2,6-diisopropylaniline
• Formula: C26 H29 Br2 N
• Calculated formula: C26 H29 Br2 N
• SMILES: Brc1c(cccc1)CN(Cc1c(Br)cccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: <i>N</i>,<i>N</i>-Bis(2-bromobenzyl)-2,6-diisopropylaniline
• Authors of publication: Comsa, Carmen; Silvestru, Cristian; Varga, Richard A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4714 - o4714
• a: 8.708 ± 0.002 Å
• b: 35.97 ± 0.01 Å
• c: 15.032 ± 0.004 Å
• α: 90°
• β: 95.952 ± 0.006°
• γ: 90°
• Cell volume: 4683 ± 2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1027
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes