Information card for entry 1548694

Structure parameters

• Formula: C10 H7 N3 O2
• Calculated formula: C10 H7 N3 O2
• SMILES: O1c2c(Nc3ccccc13)nc(=O)[nH]c2
• Title of publication: Crystal structure of a DNA containing the planar, phenoxazine-derived bi-functional spectroscopic probe C
• Authors of publication: Thomas E. Edwards; Pavol Cekan; Gunnar W. Reginsson; Sandip A. Shelke; Adrian R. Ferre-D Amare; Olav Schiemann; Snorri Th. Sigurdsson
• Journal of publication: Nucleic Acids Research
• Year of publication: 2011
• Journal volume: 39
• Pages of publication: 4419 - 4426
• a: 9.268 ± 0.007 Å
• b: 8.872 ± 0.006 Å
• c: 11.16 ± 0.008 Å
• α: 90°
• β: 112.9 ± 0.03°
• γ: 90°
• Cell volume: 845.3 ± 1.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.1622
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No