Information card for entry 1502671

Structure parameters

• Formula: C22 H21 N3 O4
• Calculated formula: C22 H21 N3 O4
• SMILES: Cc1ccc(cc1)N1C(=O)N2CC=C3C(c4ccc(cc4OC3(C)C)O)N2C1=O
• Title of publication: Discovery of novel benzopyranyl tetracycles that act as inhibitors of osteoclastogenesis induced by receptor activator of NF-κB ligand.
• Authors of publication: Zhu, Mingyan; Kim, Myung Hee; Lee, Sanghee; Bae, Su Jung; Kim, Seong Hwan; Park, Seung Bum
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2010
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 8760 - 8764
• a: 17.16 ± 0.003 Å
• b: 8.241 ± 0.0016 Å
• c: 28.64 ± 0.006 Å
• α: 90°
• β: 105.34 ± 0.03°
• γ: 90°
• Cell volume: 3905.8 ± 1.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No