Information card for entry 7005300

Structure parameters

• Formula: C19 H46 Cl4 N10 O4 P6
• Calculated formula: C19 H46 Cl4 N10 O4 P6
• SMILES: CCCCCC.CN(C)P1(=NP2(=NP(=N1)(N(C)C)Cl)OCC1(CO2)COP2(=NP(=NP(=N2)(N(C)C)Cl)(N(C)C)Cl)OC1)Cl
• Title of publication: Stereogenic properties of spiranes combined with four equivalent conventional centres of chirality.
• Authors of publication: Coles, Simon J.; Davies, David B.; Eaton, Robert J.; Hursthouse, Michael B.; Kiliç, Adem; Shaw, Robert A.; Uslu, Aylin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 20
• Pages of publication: 2040 - 2047
• a: 19.44 ± 0.004 Å
• b: 8.0225 ± 0.0012 Å
• c: 25.177 ± 0.009 Å
• α: 90°
• β: 110.62 ± 0.02°
• γ: 90°
• Cell volume: 3675 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No