Information card for entry 7104479

Structure parameters

• Formula: C33 H41 Cl N8 O10
• Calculated formula: C33 H33 Cl N8 O10
• SMILES: O.O.Cc1c(Cn2c[nH+]c3ccccc23)c(C)c(c(c1Cn1c[nH+]c2ccccc12)C)Cn1c[nH+]c2ccccc12.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.[Cl-]
• Title of publication: Formation of a nitrate zipped dimeric capsule and un-zipping by chloride doping.
• Authors of publication: Arunachalam, M; Ghosh, Pradyut
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 3184 - 3186
• a: 22.8777 ± 0.0019 Å
• b: 11.022 ± 0.0009 Å
• c: 13.5118 ± 0.0011 Å
• α: 90°
• β: 100.711 ± 0.002°
• γ: 90°
• Cell volume: 3347.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No