Information card for entry 2006915

Structure parameters

• Formula: C24 H22 Br N O S
• Calculated formula: C24 H22 Br N O S
• SMILES: Brc1cc(c(N(C(=S)c2ccccc2)C(=O)CCc2ccccc2)c(c1)C)C
• Title of publication: Photocleavage Reactions of Monothioimides
• Authors of publication: Fu, Tai Y.; Scheffer, John R.; Trotter, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 103 - 107
• a: 38.032 ± 0.003 Å
• b: 7.373 ± 0.004 Å
• c: 7.725 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2166.2 ± 1.6 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No