Information card for entry 1508689

Structure parameters

• Formula: C30 H19 N3 O
• Calculated formula: C30 H19 N3 O
• SMILES: O=C1c2c(nc3n(nc(c3c2c2cccc3cccc1c23)C)c1ccccc1)c1ccccc1
• Title of publication: Efficient multicomponent strategy to pentacyclic pyrazole-fused naphtho[1,8-fg]isoquinolines through cleavage of two carbon-carbon bonds.
• Authors of publication: Hao, Wen-Juan; Xu, Xiao-Ping; Bai, Hui-Wen; Wang, Shun-Yi; Ji, Shun-Jun
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4894 - 4897
• a: 9.2006 ± 0.0012 Å
• b: 19.587 ± 0.002 Å
• c: 11.9092 ± 0.0015 Å
• α: 90°
• β: 104.475 ± 0.004°
• γ: 90°
• Cell volume: 2078.1 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No