Information card for entry 7013801

Structure parameters

• Formula: C24 H56 N6 O P4
• Calculated formula: C24 H56 N6 O P4
• SMILES: C(N1P(OP2N(C(C)(C)C)P(N2C(C)(C)C)NC(C)(C)C)N(C(C)(C)C)P1NC(C)(C)C)(C)(C)C
• Title of publication: Steric control in the oligomerisation of phosphazane dimers; towards new phosphorus-nitrogen macrocycles.
• Authors of publication: Doyle, Emma L.; García, Felipe; Humphrey, Simon M.; Kowenicki, Richard A.; Riera, Lucía; Woods, Anthony D.; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 807 - 812
• a: 9.8571 ± 0.0002 Å
• b: 17.062 ± 0.0004 Å
• c: 20.2092 ± 0.0005 Å
• α: 90°
• β: 97.6518 ± 0.0014°
• γ: 90°
• Cell volume: 3368.56 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2158
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No