Information card for entry 8100463

Structure parameters

• Formula: C9 H11 O3 P S2
• Calculated formula: C9 H11 O3 P S2
• SMILES: S1C(Sc2c1cccc2)P(=O)(OC)OC
• Title of publication: Crystal structure of 2-dimethoxy-phosphinyl-1,3-benzodithiole, (C~6~H~4~S~2~CH)PO(OCH~3~)~2~
• Authors of publication: Xu, Feng-Ying; Zhang, Fu-Shi; Wang, Ru-Ji; Pu, Shou-Zhi; Zhou, Xin-Hong; Sun, Fan; Yuan, Peng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 535 - 536
• a: 9.791 ± 0.003 Å
• b: 10.943 ± 0.002 Å
• c: 11.619 ± 0.003 Å
• α: 90°
• β: 108.97 ± 0.002°
• γ: 90°
• Cell volume: 1177.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No