Information card for entry 7155817

Structure parameters

• Formula: C31 H26 N2 O8 S2
• Calculated formula: C31 H26 N2 O8 S2
• Title of publication: One-pot facile synthesis of 4-amino-1,8-naphthalimide derived Tröger’s bases via a nucleophilic displacement approach
• Authors of publication: Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; McAdams, Deirdre; Pancotti, Francesca; Hawes, Chris Samuel; Veale, Emma; Kitchen, Jonathan A.
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 17.102 ± 0.007 Å
• b: 8.688 ± 0.003 Å
• c: 18.461 ± 0.008 Å
• α: 90°
• β: 98.011 ± 0.007°
• γ: 90°
• Cell volume: 2716.2 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 5
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No