Information card for entry 2100839

Structure parameters

• Formula: C15 H14 O2 S
• Calculated formula: C15 H14 O2 S
• SMILES: O=C1CC[C@@]2(C(=C1)CCC2=O)Sc1ccccc1
• Title of publication: Two closely related structures: ({-})-(7a<i>S</i>)-2,3,7,7a-tetrahydro-7a-phenylthio-1<i>H</i>-indene-1,5(6<i>H</i>)-dione and its racemic compound
• Authors of publication: Brock, C. P.; Kwiatkowski, S.; Watt, D. S.; Sayed, A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 719 - 725
• a: 7.3342 ± 0.0008 Å
• b: 7.3587 ± 0.0004 Å
• c: 24.613 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1328.4 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No