Information card for entry 4116618

Structure parameters

• Formula: C10 H11 Cl N O2
• Calculated formula: C10 H11 Cl N O2
• Title of publication: Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates
• Authors of publication: Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 11122 - 11129
• a: 11.033 ± 0.002 Å
• b: 4.936 ± 0.0008 Å
• c: 18.011 ± 0.004 Å
• α: 90°
• β: 95.055 ± 0.005°
• γ: 90°
• Cell volume: 977 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• 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: 0.0983
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2727
• Weighted residual factors for all reflections included in the refinement: 0.2727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No