Information card for entry 2004128

Structure parameters

• Chemical name: Dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate
• Formula: C21 H17 Cl O4
• Calculated formula: C21 H17 Cl O4
• Title of publication: α- and γ-Polymorphs of Dimethyl 9-Chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
• Authors of publication: Jones, R.; Rettig, S. J.; Trotter, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2392 - 2395
• a: 8.634 ± 0.001 Å
• b: 8.863 ± 0.002 Å
• c: 11.745 ± 0.001 Å
• α: 90°
• β: 98.33 ± 0.01°
• γ: 90°
• Cell volume: 889.3 ± 0.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.088
• Goodness-of-fit parameter for significantly intense reflections: 4.6
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No