Information card for entry 7003564

Structure parameters

• Common name: 2-Azido-1,3-bis(2,6-dimethylphenyl)-1,3,2-diazaphospholene
• Chemical name: 2-Azido-1,3-bis(2,6-dimethylphenyl)-1,3,2-diazaphospholene
• Formula: C18 H20 N5 P
• Calculated formula: C18 H20 N5 P
• SMILES: p1(N=N#N)n(ccn1c1c(cccc1C)C)c1c(cccc1C)C
• Title of publication: Phosphazene vs.diazaphospholene PN-bond cleavage in spirocyclic cyclodiphosphazenes
• Authors of publication: Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Schalley, Christoph A.; Weilandt, Torsten
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3478 - 3485
• a: 12.7383 ± 0.0008 Å
• b: 10.8003 ± 0.0008 Å
• c: 12.8025 ± 0.0006 Å
• α: 90°
• β: 90.415 ± 0.004°
• γ: 90°
• Cell volume: 1761.29 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No