Information card for entry 2012825

Structure parameters

• Common name: exo-Tricyclo[5.2.1.0^2,6^]deca-4,8-dienyl-3-endoacetaldehyde 2,4-dinitrophenylhydrazone
• Chemical name: 2-(exo-Tricyclo[5.2.1.0^2,6^]deca-4,8-dien-3-endo-yl)acetaldehyde 2,4-dinitrophenylhydrazone
• Formula: C18 H18 N4 O4
• Calculated formula: C18 H18 N4 O4
• SMILES: [C@H]12[C@H]3[C@@H](C=C[C@H]3[C@H](C=C1)C2)C/C=N/Nc1c(cc(cc1)N(=O)=O)N(=O)=O.[C@@H]12[C@@H]3[C@H](C=C[C@@H]3[C@@H](C=C1)C2)C/C=N/Nc1c(cc(cc1)N(=O)=O)N(=O)=O
• Title of publication: 2-(<i>exo</i>-Tricyclo[5.2.1.0^2,6^]deca-4,8-dien-3-<i>endo</i>-yl)acetaldehyde 2,4-dinitrophenylhydrazone
• Authors of publication: Abdul Ajees, A.; Palani, N.; Balasubramanian, K. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o433 - o435
• a: 6.412 ± 0.001 Å
• b: 14.569 ± 0.002 Å
• c: 19.144 ± 0.003 Å
• α: 90°
• β: 105.02 ± 0.01°
• γ: 90°
• Cell volume: 1727.3 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes