Information card for entry 7152818

Structure parameters

• Formula: C24 H14 N2 O3
• Calculated formula: C24 H14 N2 O3
• SMILES: O=C1N(c2c3nc4c5c6ccccc6ccc5OCc4cc3ccc2)C(=O)C=C1
• Title of publication: Chromenoquinoline-based thiol probes: a study on the quencher position for controlling fluorescent Off-On characteristics.
• Authors of publication: Kand, Dnyaneshwar; Kalle, Arunasree Marasanapalli; Talukdar, Pinaki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 1691 - 1701
• a: 12.72 ± 0.007 Å
• b: 18.426 ± 0.01 Å
• c: 9.036 ± 0.005 Å
• α: 90°
• β: 122.238 ± 0.009°
• γ: 90°
• Cell volume: 1791.4 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No