Information card for entry 8106673

Structure parameters

• Formula: C20 H24 I2 N2 O2
• Calculated formula: C20 H24 I2 N2 O2
• Title of publication: Crystal structure of 3-cyclohexyl-2-(cyclohexylimino)-2,3-dihydro-6,8-diiodo-4H-1,3-benzoxazin-4-one, C20H24I2N2O2
• Authors of publication: Hong, Zhi; Zhao, Sha-sha; Pan, Hong; Jin, Qian; Tang, Xiao-qin; Liu, Jun-li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 773 - 774
• a: 17.5052 ± 0.001 Å
• b: 12.7846 ± 0.0007 Å
• c: 9.4663 ± 0.0005 Å
• α: 90°
• β: 94.899 ± 0.001°
• γ: 90°
• Cell volume: 2110.8 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No