Information card for entry 7026554

Structure parameters

• Formula: C23 H22 N4 O Se
• Calculated formula: C23 H22 N4 O Se
• SMILES: [Se]1([N]2=C(OCC2(C)C)c2c1cc1ccccc1c2c1cc(cc(c1)C)C)N=N#N
• Title of publication: Isolation and reactivity of an unusually stable organoselenenyl azide.
• Authors of publication: Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Singh, Udai P.; Butcher, Ray J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10137 - 10141
• a: 10.8325 ± 0.0015 Å
• b: 10.3833 ± 0.0015 Å
• c: 19.31 ± 0.003 Å
• α: 90°
• β: 90.679 ± 0.008°
• γ: 90°
• Cell volume: 2171.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0808
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No