Information card for entry 7225349

Structure parameters

• Formula: C21 H19 Cl2 N3
• Calculated formula: C21 H19 Cl2 N3
• SMILES: Nc1ccc2c(c1)C1c3c(cc(N)cc3)C2c2c1ccc(N)c2.C(Cl)Cl
• Title of publication: Reduction of selective polyaromatic nitrotriptycene via azoxytriptycene intermediate under ambient conditions using cobalt/cobalt oxide nanocomposite (CoNC)
• Authors of publication: Mohammad, Akbar; MISHRA, VEENU; Chandra, Prakash; Shaikh, Mobin M.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.084 ± 0.006 Å
• b: 9.035 ± 0.0012 Å
• c: 17.401 ± 0.006 Å
• α: 90°
• β: 100.28 ± 0.03°
• γ: 90°
• Cell volume: 1869.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.085
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No