Information card for entry 2239304

Structure parameters

• Common name: Ethyl <i>trans</i>-12-(pyridin-4-yl)-9,10-ethanoanthracene-11-carboxylate
• Formula: C24 H21 N O2
• Calculated formula: C24 H21 N O2
• SMILES: c12ccccc1C1[C@H]([C@@H](C2c2c1cccc2)C(=O)OCC)c1ccncc1.c12ccccc1C1[C@@H]([C@H](C2c2c1cccc2)C(=O)OCC)c1ccncc1
• Title of publication: Ethyl <i>trans</i>-12-(pyridin-4-yl)-9,10-ethanoanthracene-11-carboxylate
• Authors of publication: Chandrasekar, S.; Sharma Om, Prakash; Srinivasapriyan, V.; SureshKumar, M.; Ramanathan, C. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o512
• a: 10.1733 ± 0.0019 Å
• b: 11.156 ± 0.002 Å
• c: 16.361 ± 0.003 Å
• α: 90°
• β: 90.877 ± 0.003°
• γ: 90°
• Cell volume: 1856.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes