Information card for entry 4060056

Structure parameters

• Formula: C20 H15 N O7 W
• Calculated formula: C20 H15 N O7 W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C1OCCN(C(=C1)c1ccccc1)C(=O)C(=C)C
• Title of publication: Chemoselective Stepwise Demetalation of Unusually Stable Fischer Biscarbene Complexes by Domino [4+2]/[2+2] Cycloaddition of 2-Isopropenyl-2-oxazoline to 1-Alkynyl Fischer Carbene Complexes of Chromium and Tungsten
• Authors of publication: Jinzhu Chen; Zhengkun Yu; Zhaoyan Zheng; Kaichun Gu; Sizhong Wu; Fanlong Zeng; Weiqiang Tan; Xiaowei Wu; Wenjing Xiao
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 302 - 308
• a: 7.4353 ± 0.0007 Å
• b: 12.1255 ± 0.0011 Å
• c: 12.5732 ± 0.0012 Å
• α: 65.069 ± 0.002°
• β: 82.996 ± 0.002°
• γ: 79.906 ± 0.002°
• Cell volume: 1010.55 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No