Information card for entry 1512227

Structure parameters

• Formula: C33 H30 N2
• Calculated formula: C33 H30 N2
• SMILES: CCc1c(CC)c(c2ccccc2)c(c2ccccc2)n1N=C(c1ccccc1)c1ccccc1
• Title of publication: Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.
• Authors of publication: Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 4182 - 4185
• a: 14.738 ± 0.003 Å
• b: 20.322 ± 0.004 Å
• c: 8.7366 ± 0.0017 Å
• α: 90°
• β: 93.02 ± 0.03°
• γ: 90°
• Cell volume: 2613 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.2234
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No