Information card for entry 4503961

Structure parameters

• Common name: pentacene-maleimide adduct w/ toluene
• Formula: C33 H25 N O2
• Calculated formula: C33 H25 N O2
• Title of publication: Diels−Alder Adduct of Pentacene and Maleimide: Crystal Growth and the Influence of Solvent Molecules on Structure and Hydrogen Bonding
• Authors of publication: Mitzi, David B.; Afzali, Ali
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 691
• a: 11.71 ± 0.001 Å
• b: 11.453 ± 0.001 Å
• c: 18.356 ± 0.002 Å
• α: 90°
• β: 90.262 ± 0.002°
• γ: 90°
• Cell volume: 2461.8 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 2.22
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No