Information card for entry 8101039

Structure parameters

• Formula: C16 H12 O4 S
• Calculated formula: C16 H12 O4 S
• Title of publication: Crystal structure of 4,9-diacetoxynaphtho[2,3-b]thiophen, C~16~H~12~O~4~S
• Authors of publication: Santos, Regina H.A.; Malta, Valéria R.S.; De Simone, Carlos A.; Pereira, Mariano A.; Goulart, Marília O.F.; De Abreu, F.C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 459 - 460
• a: 9.2308 ± 0.001 Å
• b: 5.379 ± 0.0007 Å
• c: 14.1941 ± 0.001 Å
• α: 90°
• β: 99.528 ± 0.007°
• γ: 90°
• Cell volume: 695.05 ± 0.13 ų
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1404
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No