Information card for entry 2100309

Structure parameters

• Formula: C22 H8 I2 O2
• Calculated formula: C22 H8 I2 O2
• SMILES: Ic1cc2c3c4c1cccc4C(=O)c1c3c3c(C2=O)cccc3c(c1)I
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2005
• Journal volume: 61
• Pages of publication: 511 - 527
• a: 4.202 ± 0.001 Å
• b: 20.956 ± 0.004 Å
• c: 9.276 ± 0.002 Å
• α: 90°
• β: 100.63 ± 0.03°
• γ: 90°
• Cell volume: 802.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Duplicate of: 2100164
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No