Information card for entry 2010409

Structure parameters

• Formula: C21 H18 N2 O2
• Calculated formula: C21 H18 N2 O2
• SMILES: c1(ccccc1)C(=N/c1ccc(OC)cc1)\C=N(=O)c1ccccc1
• Title of publication: Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System
• Authors of publication: Olszewski, Piotr K.; Stadnicka, Katarzyna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Pages of publication: 98 - 103
• a: 8.6439 ± 0.0004 Å
• b: 19.5142 ± 0.0007 Å
• c: 10.5033 ± 0.0004 Å
• α: 90°
• β: 101.723 ± 0.004°
• γ: 90°
• Cell volume: 1734.74 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0925
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No