Information card for entry 2009437

Structure parameters

• Chemical name: Dimethyl 9-[(S)-(-)-N-acetylalanyloxy]methyl- 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
• Formula: C26 H25 N O7
• Calculated formula: C26 H25 N O7
• Title of publication: Dimethyl 9-[(<i>S</i>)-(‒)-<i>N</i>-acetylalanyloxy]methyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
• Authors of publication: Pokkuluri, Phani Raj; Trotter, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 276 - 278
• a: 18.914 ± 0.004 Å
• b: 14.345 ± 0.001 Å
• c: 8.622 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2339.3 ± 0.6 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No