Information card for entry 7055862

Structure parameters

• Formula: C25 H26 Br N3 O4
• Calculated formula: C25 H26 Br N3 O4
• SMILES: N(C(C)(C)C)C(=O)c1n(c(=O)c(c2cc[nH]c12)c1ccc(cc1)OC)c1ccc(Br)cc1.O
• Title of publication: Efficient synthesis of novel pyrrolo[2,3-c]pyridone derivatives using the Ugi four-component reaction followed by condensation reaction
• Authors of publication: VenkataPrasad, Jalli; Krishnamurthy, Suvratha; Moriguchi, Tetsuji; Tsuge, Akihiko
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 97
• a: 17.72 ± 0.004 Å
• b: 9.681 ± 0.002 Å
• c: 27.874 ± 0.006 Å
• α: 90°
• β: 107.915 ± 0.002°
• γ: 90°
• Cell volume: 4549.9 ± 1.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.1273
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No