Information card for entry 7104648

Structure parameters

• Formula: C35 H34 N4 O3
• Calculated formula: C35 H34 N4 O3
• SMILES: N(C(=O)c1ccccc1)c1c2[nH]c(c(c2ccc1)C)C(CC)c1[nH]c2c(NC(=O)c3ccccc3)cccc2c1C.O
• Title of publication: Anion receptors based on 7,7'-diamido-2,2'-diindolylmethane.
• Authors of publication: Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 30
• Pages of publication: 4560 - 4562
• a: 14.5822 ± 0.0006 Å
• b: 13.6329 ± 0.0005 Å
• c: 15.4897 ± 0.0005 Å
• α: 90°
• β: 112.956 ± 0.004°
• γ: 90°
• Cell volume: 2835.45 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No