Information card for entry 5000393

Structure parameters

• Chemical name: 10-Acetoxy-9,11,20,22-tetraphenyltetrabenzo(a,c,l,n)pentacene
• Formula: C64 H40 O2
• Calculated formula: C136 H90 O10
• Authors of publication: Jiajia Zhang; D.M.Ho; R.A.Pascal Junior
• Journal of publication: Tetrahedron Lett.
• Year of publication: 1999
• Journal volume: 40
• Pages of publication: 3859
• a: 10.1184 ± 0.0004 Å
• b: 14.51 ± 0.0006 Å
• c: 14.8047 ± 0.0004 Å
• α: 90°
• β: 101.102 ± 0.002°
• γ: 90°
• Cell volume: 2132.92 ų
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• 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: 6.02
• Weighted residual factors for significantly intense reflections: 6.02
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No