Information card for entry 7150586

Structure parameters

• Formula: C12 H14 I N O2
• Calculated formula: C12 H14 I N O2
• SMILES: [I-].OC(OC)c1c2c([n+](cc1)C)cccc2
• Title of publication: Hidden signatures: new reagents for developing latent fingerprints
• Authors of publication: Plater, M. John; Barnes, Paul; McDonald, Lauren K.; Wallace, Sandy; Archer, Nia; Gelbrich, Thomas; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1633 - 1641
• a: 7.9338 ± 0.0002 Å
• b: 14.4447 ± 0.0005 Å
• c: 11.0343 ± 0.0003 Å
• α: 90°
• β: 103.597 ± 0.002°
• γ: 90°
• Cell volume: 1229.1 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No