Information card for entry 7236273

Structure parameters

• Formula: C11 H15 N2 O4
• Calculated formula: C11 H15 N2 O4
• Title of publication: Crystal-to-crystal photo-reversible polymerization mechanism of bis-thymine derivative
• Authors of publication: Udagawa, Akihiro; Johnston, Priscilla; Sakon, Aya; Toyoshima, Ryosuke; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 109
• Pages of publication: 107317
• a: 9.0364 ± 0.00025 Å
• b: 18.7601 ± 0.0005 Å
• c: 7.32887 ± 0.00012 Å
• α: 90°
• β: 105.84 ± 0.0013°
• γ: 90°
• Cell volume: 1195.24 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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
• RFsqd: 0.08759
• Goodness-of-fit parameter for all reflections: 4.58
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: Kα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No