Information card for entry 2101191

Structure parameters

• Formula: C20 H22 O4
• Calculated formula: C20 H22 O4
• SMILES: COC(=O)C1=C(C(=O)OC)[C@@]2(C)C=C[C@]1(C)c1c2c(C)ccc1C
• Title of publication: Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate
• Authors of publication: Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 597 - 600
• a: 12.643 ± 0.001 Å
• b: 9.288 ± 0.001 Å
• c: 15.153 ± 0.001 Å
• α: 90°
• β: 105.7 ± 0.01°
• γ: 90°
• Cell volume: 1713 ± 0.3 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No