Information card for entry 7109602

Structure parameters

• Common name: DDJS-52
• Formula: C17 H13 N O
• Calculated formula: C17 H13 N O
• SMILES: c1(cccc2ccccc12)/N=C/c1c(cccc1)O
• Title of publication: Fluorescence sensing of arsenate at nanomolar level in a greener way: naphthalene based probe for living cell imaging
• Authors of publication: Animesh Sahana; Arnab Banerjee; Sisir Lohar; Sukanya Panja; Subhra Kanti Mukhopadhyay; Jesus Sanmartin Matalobos; Debasis Das
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7231
• a: 10.4675 ± 0.0007 Å
• b: 12.2615 ± 0.0008 Å
• c: 19.3299 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2480.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No