Information card for entry 7221063

Structure parameters

• Formula: C24 H23 N O5 S
• Calculated formula: C24 H23 N O5 S
• SMILES: S(=O)(=O)(N1Cc2ccc3COCc3c2c2c1cc(OC)c(OC)c2)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: 8.243 ± 0.002 Å
• b: 19.74 ± 0.006 Å
• c: 12.654 ± 0.004 Å
• α: 90°
• β: 103.1 ± 0.008°
• γ: 90°
• Cell volume: 2005.4 ± 1 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: 0.0617
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No