Information card for entry 7134446

Structure parameters

• Formula: C24 H22 Br N O
• Calculated formula: C24 H22 Br N O
• Title of publication: Zinc(ii)-catalysed cyclocondensation of oxime ethers triggered by polarity inversion: construction of fused pyrroles
• Authors of publication: Takeda, Norihiko; Fujita, Sora; Murakami, Kaho; Honda, Chihiro; Tomoda, Hina; Yasui, Motohiro; Yamada, Takahiro; Ueda, Masafumi
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 44
• Pages of publication: 7995 - 7998
• a: 8.5551 ± 0.0004 Å
• b: 6.0134 ± 0.0003 Å
• c: 19.1446 ± 0.0008 Å
• α: 90°
• β: 94.893 ± 0.004°
• γ: 90°
• Cell volume: 981.31 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No