Information card for entry 1542373

Structure parameters

• Formula: C24 H18 N2 O3
• Calculated formula: C24 H18 N2 O3
• SMILES: O=C(OC)c1cc2N=CC(O)(c3ccccc3)c3n(c4c(cccc4)c3)c2cc1
• Title of publication: Skeletally Diverse Synthesis of Indole-Fused Diazocine and Diazepine Frameworks by One-Pot, Two-Component Cascade Reaction.
• Authors of publication: Thikekar, Tushar Ulhas; Selvaraju, Manikandan; Sun, Chung-Ming
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 316 - 319
• a: 10.8282 ± 0.0006 Å
• b: 8.7931 ± 0.0004 Å
• c: 19.9988 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1904.15 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No