Information card for entry 8102322

Structure parameters

• Formula: C8 H7 N3 O4
• Calculated formula: C8 H7 N3 O4
• SMILES: O=C1O/C(=C\CN=N#N)C2=C1OCCO2
• Title of publication: Crystal structure of (7Z)-7-(2-azidoethylidene)-2,3- dihydrofuro[3,4-b] [1,4]dioxin-5(7H)-one, C8H7N3O4
• Authors of publication: Andreas Ries; Jürgen Sander; Christian Neis; Anton Zaschka; Bernd Morgenstern; Kaspar Hegetschweiler
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 377
• a: 18.654 ± 0.002 Å
• b: 3.8526 ± 0.0005 Å
• c: 12.0746 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 867.76 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No