Information card for entry 7150531

Structure parameters

• Formula: C22 H18 N2 O2
• Calculated formula: C22 H18 N2 O2
• SMILES: O1C(OCC1)c1c(C(=N#N)c2ccc(c3ccccc3)cc2)cccc1
• Title of publication: Photochemical generation, intramolecular reactions, and spectroscopic detection of oxonium ylide and carbene intermediates in a crystalline ortho-(1,3-dioxolan-2-yl)-diaryldiazomethane.
• Authors of publication: Garcia-Garibay, Miguel A; Dang, Hung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1106 - 1114
• a: 6.074 ± 0.001 Å
• b: 11.401 ± 0.001 Å
• c: 12.309 ± 0.002 Å
• α: 93.98 ± 0.01°
• β: 93.6 ± 0.01°
• γ: 90.25 ± 0.02°
• Cell volume: 848.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No