Information card for entry 2006456

Structure parameters

• Chemical name: 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene
• Formula: C16 H10 Cl2
• Calculated formula: C16 H10 Cl2
• SMILES: Clc1cccc2C3c4cccc(Cl)c4C(c12)C=C3
• Title of publication: 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene
• Authors of publication: Benites, Maria del Rosario; Maverick, Andrew W.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1334 - 1335
• a: 11.217 ± 0.001 Å
• b: 8.1008 ± 0.0003 Å
• c: 14.4403 ± 0.0008 Å
• α: 90°
• β: 104.34 ± 0.01°
• γ: 90°
• Cell volume: 1271.26 ± 0.15 ų
• Cell temperature: 297 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 2.301
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No