Information card for entry 4020415

Structure parameters

• Formula: C28 H25 N3 O9
• Calculated formula: C28 H25 N3 O9
• SMILES: C(c1cc(ccc1OCC=C)N(=O)=O)(c1cc(ccc1OCC=C)N(=O)=O)c1cc(ccc1OCC=C)N(=O)=O
• Title of publication: Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties
• Authors of publication: Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6027 - 6033
• a: 12.4354 ± 0.0005 Å
• b: 12.1584 ± 0.0003 Å
• c: 17.9173 ± 0.0008 Å
• α: 90°
• β: 95.922 ± 0.002°
• γ: 90°
• Cell volume: 2694.54 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Weighted residual factors for significantly intense reflections: 0.1512
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No