Information card for entry 4113551

Structure parameters

• Formula: C30 H20 N2 S6
• Calculated formula: C30 H20 N2 S6
• Title of publication: Photomechanical Actuation and Manipulation of the Electronic Properties of Linear π-Conjugated Systems
• Authors of publication: Bruno Jousselme; Philippe Blanchard; Nuria Gallego-Planas; Jacques Delaunay; Magali Allain; Pascal Richomme; Eric Levillain; Jean Roncali
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2888 - 2889
• a: 8.483 ± 0.001 Å
• b: 12.444 ± 0.002 Å
• c: 51.98 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5487.1 ± 1.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.173
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections: 3.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No