Information card for entry 2101036

Structure parameters

• Formula: C21 H17 Cl O4
• Calculated formula: C21.5 H18.5 Cl O4
• SMILES: COC([C@]12[C@H]3CCCC[C@H]3[C@@H]([C@]2([C@@H](OC)O)[C@H]2[C@H]([C@@H]1Cl)CCCC2)C)OC.COC(=O)[C@]12[C@H](Cl)c3c([C@]2(C(=O)OC)C(=C)c2c1cccc2)cccc3.COC([C@@]12[C@@H]3CCCC[C@@H]3[C@H]([C@@]2([C@H](OC)O)[C@@H]2[C@@H]([C@H]1Cl)CCCC2)C)OC.COC(=O)[C@@]12[C@@H](Cl)c3c([C@@]2(C(=O)OC)C(=C)c2c1cccc2)cccc3
• 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: 13.893 ± 0.001 Å
• b: 15.968 ± 0.002 Å
• c: 8.191 ± 0.002 Å
• α: 98.13 ± 0.02°
• β: 91.78 ± 0.02°
• γ: 99.54 ± 0.01°
• Cell volume: 1771.2 ± 0.5 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No