Information card for entry 7156602

Structure parameters

• Chemical name: 5-(3-methoxyphenyl)-3-(methylsulfonyl)-2-(tosylmethyl)-3,4-dihydrobenzo[f]isoquinoline
• Formula: C29 H27 N O5 S2
• Calculated formula: C29 H27 N O5 S2
• Title of publication: Gold-catalysed regioselective cascade cycloisomerisation reactions of aza-enediynes for the synthesis of substituted benzoisoquinoline derivatives.
• Authors of publication: Undeela, Sridhar; Chandra, Rajesh; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 369 - 373
• a: 14.943 ± 0.006 Å
• b: 10.893 ± 0.005 Å
• c: 16.259 ± 0.006 Å
• α: 90°
• β: 90.199 ± 0.01°
• γ: 90°
• Cell volume: 2646.5 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No