Information card for entry 7100127

Structure parameters

• Formula: C14 H16 N2 O4 S
• Calculated formula: C14 H16 N2 O4 S
• SMILES: S(=O)(=O)(N1[C@H](CC[C@@H]1C=C)C=C)c1ccc(N(=O)=O)cc1
• Title of publication: Intramolecular Charge-Transfer Fluorescence of 1-Phenylbicyclo[2.2.2]octasilane
• Authors of publication: Mitsuo Kira; Natsuki Hamada; Chizuko Kabuto; Wataru Setaka
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.7121 ± 0.0007 Å
• b: 10.729 ± 0.0009 Å
• c: 17.409 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1440.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No