Information card for entry 1505156

Structure parameters

• Formula: C23 H19 N3 O2
• Calculated formula: C23 H19 N3 O2
• SMILES: O=C(NCC#C)[C@@H](Oc1ccc(N=Nc2ccccc2)cc1)c1ccccc1
• Title of publication: Synthesis of Helical Poly(N-propargylamides) Carrying Azobenzene Moieties in Side Chains. Reversible Arrangement-Disarrangement of Helical Side Chain Arrays upon Photoirradiation Keeping Helical Main Chain Intact
• Authors of publication: Fujii, Toru; Shiotsuki, Masashi; Inai, Yoshihito; Sanda, Fumio; Masuda, Toshio
• Journal of publication: Macromolecules
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 7079
• a: 12.132 ± 0.004 Å
• b: 5.2501 ± 0.0014 Å
• c: 14.966 ± 0.005 Å
• α: 90°
• β: 93.362 ± 0.012°
• γ: 90°
• Cell volume: 951.6 ± 0.5 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No