Information card for entry 2001258

Structure parameters

• Chemical name: Dimethyl 9-formyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate
• Formula: C21 H16 O5
• Calculated formula: C21 H16 O5
• SMILES: c1cccc2c1C1(c3ccccc3C2C(=C1C(=O)OC)C(=O)OC)C=O
• Title of publication: Structure of dimethyl 9-formyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
• Authors of publication: Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 2018 - 2019
• a: 10.176 ± 0.001 Å
• b: 12.075 ± 0.002 Å
• c: 8.077 ± 0.001 Å
• α: 108.88 ± 0.01°
• β: 112.79 ± 0.01°
• γ: 83.86 ± 0.01°
• Cell volume: 865.6 ± 0.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.42
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No