Information card for entry 2101037

Structure parameters

• Formula: C21 H17 Cl O4
• Calculated formula: C21 H17 Cl O4
• SMILES: COC(=O)[C@@]12c3ccccc3[C@@H]([C@@]2(C(=O)OC)c2c(C1=C)cccc2)Cl.COC(=O)[C@]12c3ccccc3[C@H]([C@]2(C(=O)OC)c2c(C1=C)cccc2)Cl
• Title of publication: Crystal structure correlations in the photochemistry of dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
• Authors of publication: Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 905 - 909
• a: 14.777 ± 0.001 Å
• b: 8.581 ± 0.001 Å
• c: 15.192 ± 0.001 Å
• α: 90°
• β: 112.1 ± 0.01°
• γ: 90°
• Cell volume: 1784.8 ± 0.3 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No