Information card for entry 7013803

Structure parameters

• Formula: C16 H38 N4 O3 P4
• Calculated formula: C16 H38 N4 O3 P4
• SMILES: O(P1N(C(C)(C)C)P(=O)N1C(C)(C)C)P1N(C(C)(C)C)P(=O)N1C(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: 10.5902 ± 0.0004 Å
• b: 10.6397 ± 0.0003 Å
• c: 11.8618 ± 0.0005 Å
• α: 92.821 ± 0.001°
• β: 91.23 ± 0.001°
• γ: 107.173 ± 0.001°
• Cell volume: 1274.51 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No