Information card for entry 1506849

Structure parameters

• Formula: C9 H10 N2 O S3
• Calculated formula: C9 H10 N2 O S3
• SMILES: S1C2SC3SC1CC(C2)(C3)C(=O)C=N#N
• Title of publication: Photochemical Patterning of a Self-Assembled Monolayer of 7-Diazomethylcarbonyl-2,4,9-trithiaadmantane on Gold Films via Wolff Rearrangement
• Authors of publication: Hu, Jun; Liu, Yubiao; Khemtong, Chalermchai; El Khoury, Jouliana M.; McAfoos, Timothy J.; Taschner, Ian S.
• Journal of publication: Langmuir
• Year of publication: 2004
• Journal volume: 20
• Journal issue: 12
• Pages of publication: 4933
• a: 7.3568 ± 0.0014 Å
• b: 9.8242 ± 0.0018 Å
• c: 15.334 ± 0.003 Å
• α: 87.701 ± 0.003°
• β: 87.867 ± 0.003°
• γ: 87.491 ± 0.003°
• Cell volume: 1105.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No