Information card for entry 2101035

Structure parameters

• Formula: C21 H17 Cl O4
• Calculated formula: C21 H17 Cl O4
• SMILES: ClCC12c3ccccc3C(c3ccccc13)C(=C2C(=O)OC)C(=O)OC
• 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: 10.087 ± 0.001 Å
• b: 16.207 ± 0.001 Å
• c: 11.233 ± 0.001 Å
• α: 90°
• β: 107.64 ± 0.01°
• γ: 90°
• Cell volume: 1750 ± 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