Information card for entry 1544935

Structure parameters

• Formula: C22 H21 N3 O2
• Calculated formula: C22 H21 N3 O2
• SMILES: N1N(C(=O)c2cc(cc(c2)C)C)C(CC=1C(=O)c1cc(cc(c1)C)C)C#N
• Title of publication: Fluoride-Mediated Dephosphonylation of α-Diazo-β-carbonyl Phosphonates.
• Authors of publication: Phatake, Ravindra S.; Mullapudi, Venkannababu; Wakchaure, Vivek C.; Ramana, Chepuri V.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 372 - 375
• a: 11.1909 ± 0.0009 Å
• b: 21.865 ± 0.002 Å
• c: 8.6529 ± 0.0007 Å
• α: 90°
• β: 112.255 ± 0.006°
• γ: 90°
• Cell volume: 1959.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.171
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No