Information card for entry 2001837

Structure parameters

• Chemical name: Dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12- dicarboxylate
• Formula: C20 H15 Cl O4
• Calculated formula: C20 Cl O4
• SMILES: c1cccc2c1C1c3ccccc3C2(C(=C1C(=O)OC)C(=O)OC)Cl
• Title of publication: Structure of dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
• Authors of publication: Trotter, J.; Yee, V. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 846 - 848
• a: 11.865 ± 0.001 Å
• b: 13.8 ± 0.001 Å
• c: 10.568 ± 0.001 Å
• α: 90°
• β: 104.25 ± 0.01°
• γ: 90°
• Cell volume: 1677.1 ± 0.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 2.2
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No