Information card for entry 4339645

Structure parameters

• Formula: C24 H36 N2 O4 P2
• Calculated formula: C24 H36 N2 O4 P2
• SMILES: P1(=O)(Oc2c(cccc2C)C)N(P(=O)(Oc2c(cccc2C)C)N1C(C)(C)C)C(C)(C)C
• Title of publication: Molecularly nonstoichiometric crystals in phosphorus compounds.
• Authors of publication: Chakravarty, Manab; Suresh, R. Rama; Swamy, K. C. Kumara
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9819 - 9826
• a: 16.191 ± 0.002 Å
• b: 8.1589 ± 0.001 Å
• c: 40.17 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5306.5 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1008
• 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