Information card for entry 7109913

Structure parameters

• Formula: C24 H24 N8 O13
• Calculated formula: C24 H24 N8 O12
• SMILES: c1cc(cc[nH+]1)C1C(c2cc[nH+]cc2)C(c2cc[nH+]cc2)C1c1cc[nH+]cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Recyclable nitrate-templated photochemical [2+2] cycloaddition reaction promoted by a tripodal receptor
• Authors of publication: Ashutosh S. Singh; Shih-Sheng Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10070
• a: 7.3344 ± 0.0008 Å
• b: 10.0039 ± 0.0011 Å
• c: 10.361 ± 0.0012 Å
• α: 85.485 ± 0.005°
• β: 72.352 ± 0.005°
• γ: 70.281 ± 0.005°
• Cell volume: 681.72 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.2083
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No