Information card for entry 7119627

Structure parameters

• Formula: C31.5 H19 Cl3.33 N3
• Calculated formula: C31.4999 H19 Cl3.3331 N3
• Title of publication: Exploring the "fold-in" strategy toward the construction of a highly-strained triazasumanene skeleton.
• Authors of publication: Chen, Fengkun; Tanaka, Takayuki; Osuka, Atsuhiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 2705 - 2708
• a: 10.647 ± 0.003 Å
• b: 9.151 ± 0.002 Å
• c: 25.792 ± 0.007 Å
• α: 90°
• β: 90.319 ± 0.008°
• γ: 90°
• Cell volume: 2512.9 ± 1.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1249
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.244
• Weighted residual factors for all reflections included in the refinement: 0.2804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No