Information card for entry 7246369

Structure parameters

• Chemical name: trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate
• Formula: C46 H43 N O8
• Calculated formula: C46 H43 N O8
• Title of publication: Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines
• Authors of publication: Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 1740 - 1754
• a: 11.2912 ± 0.0006 Å
• b: 21.2529 ± 0.0013 Å
• c: 15.8162 ± 0.001 Å
• α: 90°
• β: 90.136 ± 0.003°
• γ: 90°
• Cell volume: 3795.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No