Information card for entry 2012158

Structure parameters

• Formula: C22 H14
• Calculated formula: C22 H14
• SMILES: c1ccc2c(c1)cc1c(c2)cc2c(c1)cc1c(c2)cccc1
• Title of publication: Polymorphism in pentacene
• Authors of publication: Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; de Boer, Jan L.; Palstra, Thomas T. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 939 - 941
• a: 6.239 ± 0.001 Å
• b: 7.636 ± 0.001 Å
• c: 14.33 ± 0.002 Å
• α: 76.978 ± 0.003°
• β: 88.136 ± 0.003°
• γ: 84.415 ± 0.003°
• Cell volume: 661.94 ± 0.17 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No