Information card for entry 7221062

Structure parameters

• Chemical name: ab/pb/382p
• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: O1Cc2ccc3c(c2C1)c1c(OC3)cc(OC)c(OC)c1
• 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: 7.541 ± 0.004 Å
• b: 8.769 ± 0.005 Å
• c: 10.636 ± 0.006 Å
• α: 98.434 ± 0.018°
• β: 106.104 ± 0.018°
• γ: 93.644 ± 0.018°
• Cell volume: 664.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.386
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No