Information card for entry 4508216

Structure parameters

• Formula: C26 H38 N4 O8 P2
• Calculated formula: C26 H38 N4 O8 P2
• SMILES: c1cc(N(C)C)cc[nH+]1.[O-]P(=O)(Cc1cccc2c(cccc12)CP(=O)([O-])O)O.O.c1cc(N(C)C)cc[nH+]1.O
• Title of publication: Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts
• Authors of publication: Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 4039
• a: 7.1963 ± 0.0005 Å
• b: 10.016 ± 0.001 Å
• c: 10.432 ± 0.001 Å
• α: 99.98 ± 0.01°
• β: 93.83 ± 0.01°
• γ: 109.51 ± 0.02°
• Cell volume: 691.7 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.144
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No