Information card for entry 1512593

Structure parameters

• Formula: C27 H22 N2 O2
• Calculated formula: C27 H22 N2 O2
• Title of publication: Rauhut-currier-type reaction with morita-baylis-hillman carbonates of 2-cyclohexenone and alkylidenemalononitriles to access chromene derivatives.
• Authors of publication: Peng, Jing; Huang, Xin; Zheng, Peng-Fei; Chen, Ying-Chun
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 5534 - 5537
• a: 8.156 ± 0.003 Å
• b: 11.1 ± 0.004 Å
• c: 13.054 ± 0.004 Å
• α: 107.025 ± 0.004°
• β: 98.84 ± 0.003°
• γ: 102.091 ± 0.004°
• Cell volume: 1075.3 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No