Information card for entry 2001714

Structure parameters

• Chemical name: Dimethyl 9-methyl-9,10-dihydro-9,10-ethenoanthracene-11,12- dicarboxylate
• Formula: C21 H18 O4
• Calculated formula: C21 H18 O4
• SMILES: c1cccc2c1C1c3ccccc3C2(C(=C1C(=O)OC)C(=O)OC)C
• Title of publication: Structure of dimethyl 9-methyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
• Authors of publication: Pokkuluri, P. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 971 - 973
• a: 16.164 ± 0.002 Å
• b: 14.747 ± 0.001 Å
• c: 8.3073 ± 0.0006 Å
• α: 90.86 ± 0.07°
• β: 112.82 ± 0.06°
• γ: 108.74 ± 0.08°
• Cell volume: 1706.2 ± 1.4 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 significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.084
• Goodness-of-fit parameter for significantly intense reflections: 3
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No