Information card for entry 2000070

Structure parameters

• Formula: C18 H16 O S
• Calculated formula: C18 H16 O S
• SMILES: O=C[C@@H]1S[C@]2(C)c3c([C@@]1(C)c1c2cccc1)cccc3.O=C[C@H]1S[C@@]2(C)c3c([C@]1(C)c1c2cccc1)cccc3
• Title of publication: 12-Formyl-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene
• Authors of publication: Minassian, F.; Pelloux-Léon, N.; Durif, A.; Vallée, Y.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 781 - 783
• a: 14.149 ± 0.005 Å
• b: 12.76 ± 0.003 Å
• c: 16.754 ± 0.007 Å
• α: 90°
• β: 107.68 ± 0.03°
• γ: 90°
• Cell volume: 2881.92 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.041
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No