Information card for entry 1502840

Structure parameters

• Formula: C75.24 H121 N10 O8.12 P S2.12
• Calculated formula: C75.24 H121 N10 O8.12 P S2.12
• SMILES: O=C(Nc1cccc2cc[nH]c12)Nc1c2[nH]c(c(c2ccc1)C)C(CC)c1[nH]c2c(c1C)cccc2NC(=O)Nc1c2[nH]ccc2ccc1.P(=O)([O-])([O-])O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.S(=O)(C)C.S(=O)(C)C
• Title of publication: 7,7'-Diureido-2,2'-diindolylmethanes: anion receptors effective in a highly competitive solvent, methanol.
• Authors of publication: Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1076 - 1078
• a: 13.0331 ± 0.0011 Å
• b: 13.2679 ± 0.0011 Å
• c: 24.257 ± 0.002 Å
• α: 98.544 ± 0.007°
• β: 93.146 ± 0.007°
• γ: 106.279 ± 0.007°
• Cell volume: 3961.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No