Information card for entry 7026789

Structure parameters

• Chemical name: 2,6-(2,4,6-trimethylphenyl)azidobenzene
• Formula: C24 H25 N3
• Calculated formula: C24 H25 N3
• SMILES: N(=N#N)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis of sterically encumbered 2,4-bis-m-terphenyl-1,3-dichloro-2,4-cyclo-dipnictadiazanes [m-TerNPnCl](2), (Pn = P, As).
• Authors of publication: Reiss, Fabian; Schulz, Axel; Villinger, Alexander; Weding, Nico
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9962 - 9972
• a: 7.63 ± 0.0015 Å
• b: 29.31 ± 0.006 Å
• c: 8.96 ± 0.0018 Å
• α: 90°
• β: 93.57 ± 0.03°
• γ: 90°
• Cell volume: 1999.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No