Information card for entry 7116553

Structure parameters

• Common name: di-tert butyl rubicenoid Pentacene
• Chemical name: di-tert butyl bisindenofused pentacene
• Formula: C43 H34 O1.5
• Calculated formula: C43 H34 O1.5
• Title of publication: Bisindeno-annulated pentacenes with exceptionally high photo-stability and ordered molecular packing: simple synthesis by a regio-selective Scholl reaction
• Authors of publication: Arun Naibi Lakshminarayana; Jingjing Chang; Jie Luo; Bin Zheng; Kuo-Wei Huang; Chunyan Chi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3604
• a: 27.2227 ± 0.0014 Å
• b: 16.4194 ± 0.0008 Å
• c: 6.9476 ± 0.0004 Å
• α: 90°
• β: 101.779 ± 0.0018°
• γ: 90°
• Cell volume: 3040 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No