Information card for entry 7008400

Structure parameters

• Formula: C24 H30 N O2 P S
• Calculated formula: C24 H30 N O2 P S
• SMILES: P1(Oc2c(cc(cc2Cc2cc(cc(c2O1)C(C)(C)C)C)C)C(C)(C)C)N=C=S
• Title of publication: Addition products of a P(III)-isothiocyanate to dialkyl acetylenedicarboxylates: a spirocyclic phosphinimine and a triphosphorus heterocycle with tetra- and penta-coordinate phosphorus.
• Authors of publication: Kumaraswamy, Sudha; Kumar, K. Senthil; Kumar, N. Satish; Swamy, K. C. Kumara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 10
• Pages of publication: 1847 - 1851
• a: 9.2777 ± 0.0016 Å
• b: 13.122 ± 0.009 Å
• c: 9.743 ± 0.003 Å
• α: 90°
• β: 97.9 ± 0.02°
• γ: 90°
• Cell volume: 1174.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No