Information card for entry 7221064

Structure parameters

• Chemical name: ab/pb/377p
• Formula: C23 H21 N O4 S
• Calculated formula: C23 H21 N O4 S
• SMILES: S(=O)(=O)(N1c2c(c3c4c(ccc3C1)COC4)cc(OC)cc2)c1ccc(cc1)C
• Title of publication: Synthesis of Benzochromenes and Dihydrophenanthridines with Helical Motif using Garratt-Braverman and Buchwald-Hartwig Reactions
• Authors of publication: Basak, Amit; Bhattacharya, Prabuddha; Senapati, Kalyan; Chattopadhyay, Krishna; Mandal, Santi M.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.508 ± 0.002 Å
• b: 12.301 ± 0.003 Å
• c: 20.778 ± 0.004 Å
• α: 90°
• β: 114.172 ± 0.007°
• γ: 90°
• Cell volume: 1983.9 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 2.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No