Information card for entry 7100499

Structure parameters

• Formula: C20 H17 N O3
• Calculated formula: C20 H17 N O3
• SMILES: O(c1ccc(cc1)O)c1ccc(cc1)\N=C/c1ccc(OC)cc1
• Title of publication: Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
• Authors of publication: Archan Dey; Gautam R. Desiraju
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 6.137 ± 0.002 Å
• b: 7.451 ± 0.002 Å
• c: 34.981 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1599.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No