Information card for entry 7134445

Structure parameters

• Formula: C25 H29 N O3
• Calculated formula: C25 H29 N O3
• 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: 8.6101 ± 0.0004 Å
• b: 9.4347 ± 0.0006 Å
• c: 15.4023 ± 0.0009 Å
• α: 98.502 ± 0.005°
• β: 101.701 ± 0.004°
• γ: 112.023 ± 0.005°
• Cell volume: 1100.7 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1094
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No