Information card for entry 4350331

Structure parameters

• Chemical name: "18,19-Dihydro-8,8-bis(1,4-dioxa-8-azaspiro[4,5]decane)-1-yl- 6(lambda)**5,8(lambda)**5,10(lambda)**5-6,10-nit-rilo-16H,21H- [1,3,5,7,2,4,6]tetrazatriphosphonino[2,1-b:6,7-b']bis[1,3,2]benzoxaza- phosphorine " by "Selen Bilge, Þemsay Demiriz, Aytuð Okumuþ, Zeynel Kýlýç, Barýþ Tercan, Tuncer Hökelek, Orhan Büyükgüngör"
• Formula: C30 H40 N7 O6 P3
• Calculated formula: C30 H40 N7 O6 P3
• SMILES: P1(Oc2c(CN1CCN1Cc3c(O4)cccc3)cccc2)(=NP(=N2)(N3CCC5(OCCO5)CC3)N3CCC5(OCCO5)CC3)N=P421
• Title of publication: Phosphorus-nitrogen compounds. Part 13. Syntheses, crystal structures, spectroscopic, stereogenic, and anisochronic properties of novel spiro-ansa-spiro-, spiro-bino-spiro-, and spiro-crypta phosphazene derivatives.
• Authors of publication: Bilge, Selen; Demiriz, Semsay; Okumus, Aytug; Kiliç, Zeynel; Tercan, Baris; Hökelek, Tuncer; Büyükgüngör, Orhan
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8755 - 8767
• a: 18.442 ± 0.0011 Å
• b: 13.337 ± 0.0009 Å
• c: 13.5691 ± 0.0014 Å
• α: 90°
• β: 99.243 ± 0.006°
• γ: 90°
• Cell volume: 3294.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No