Information card for entry 7207903

Structure parameters

• Formula: C16 H16 N6 O2
• Calculated formula: C16 H16 N6 O2
• SMILES: O=C(Nc1c(NC(=O)c2nccn2C)cccc1)c1nccn1C
• Title of publication: Light-triggered NO release from a nanofibrous non-woven
• Authors of publication: Bohlender, Carmen; Wolfram, Martin; Goerls, Helmar; Imhof, Wolfgang; Menzel, Roberto; Baumgaertel, Anja; Schubert, Ulrich S.; Mueller, Ulrike; Frigge, Martina; Schnabelrauch, Matthias; Wyrwa, Ralf; Schiller, Alexander
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 18
• Pages of publication: 8785
• a: 11.4171 ± 0.0007 Å
• b: 11.8541 ± 0.0009 Å
• c: 12.1504 ± 0.0009 Å
• α: 81.797 ± 0.004°
• β: 73.957 ± 0.005°
• γ: 75.363 ± 0.005°
• Cell volume: 1524.4 ± 0.19 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.123
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No