Information card for entry 7117156

Structure parameters

• Chemical name: (E)-10-(10H-phenothiazin-3'-yl)propenal
• Formula: C15 H11 N O S
• Calculated formula: C15 H11 N O S
• SMILES: S1c2c(N(/C=C/C=O)c3c1cccc3)cccc2
• Title of publication: A highly selective phenothiazine-based fluorescence 'turn-on' indicator based on cyanide-promoted novel protection/deprotection mechanism
• Authors of publication: Bhaskar Garg; Yong-Chien Ling
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8809
• a: 16.112 ± 0.0013 Å
• b: 7.8274 ± 0.0007 Å
• c: 9.593 ± 0.0008 Å
• α: 90°
• β: 101.081 ± 0.002°
• γ: 90°
• Cell volume: 1187.27 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No