Information card for entry 7155451

Structure parameters

• Formula: C21 H22 N2
• Calculated formula: C21 H22 N2
• SMILES: c1c2c(ccc1)c(c(C)n2C)Cc1c(C)n(c2ccccc12)C
• Title of publication: Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes.
• Authors of publication: Deb, Mohit L.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1435 - 1443
• a: 7.9533 ± 0.0006 Å
• b: 9.1569 ± 0.0007 Å
• c: 11.67 ± 0.0008 Å
• α: 83.471 ± 0.004°
• β: 82.104 ± 0.004°
• γ: 88.025 ± 0.004°
• Cell volume: 836.23 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No