Information card for entry 7050865

Structure parameters

• Formula: C18 H10 N2 S Se
• Calculated formula: C18 H10 N2 S Se
• SMILES: c12c(cc3ccccc3n1)Sc1c([Se]2)nc2c(c1)cccc2
• Title of publication: Synthesis of novel heteropentacenes containing nitrogen, sulfur and oxygen or selenium
• Authors of publication: Krystian, Pluta; Malgorzata, Nowak; Kinga, Suwinska
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• a: 14.396 ± 0.0001 Å
• b: 16.141 ± 0.0004 Å
• c: 6.136 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1425.8 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No