Information card for entry 7052468

Structure parameters

• Formula: C15 H10 N2 O2
• Calculated formula: C15 H10 N2 O2
• SMILES: O1c2c(N(c3c1cccc3)C(=O)C)ccc(c2)C#N
• Title of publication: Cyano-activated fluoro displacement reactions in the synthesis of cyanophenoxazines and related compounds
• Authors of publication: Eastmond, Geoffrey C.; Gilchrist, Thomas L.; Paprotny, Jerzy; Steiner, Alexander
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 385
• a: 11.8719 ± 0.0015 Å
• b: 7.8232 ± 0.0012 Å
• c: 12.9433 ± 0.0016 Å
• α: 90°
• β: 99.176 ± 0.015°
• γ: 90°
• Cell volume: 1186.7 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• 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: 0.1212
• Residual factor for significantly intense reflections: 0.1113
• Weighted residual factors for significantly intense reflections: 0.2915
• Weighted residual factors for all reflections included in the refinement: 0.2972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No