Information card for entry 7121827

Structure parameters

• Formula: C27 H29 N7 O2
• Calculated formula: C27 H29 N7 O2
• Title of publication: Discovery of a tetrazolyl β-carboline with <i>in vitro</i> and <i>in vivo</i> osteoprotective activity under estrogen-deficient conditions.
• Authors of publication: Karvande, Anirudha; Khan, Shahnawaz; Khan, Irfan; Singh, Deepti; Khedgikar, Vikram; Kushwaha, Priyanka; Ahmad, Naseer; Kothari, Priyanka; Dhasmana, Anupam; Kant, Ruchir; Trivedi, Ritu; Chauhan, Prem M. S.
• Journal of publication: MedChemComm
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1213 - 1225
• a: 9.814 ± 0.002 Å
• b: 9.916 ± 0.002 Å
• c: 25.156 ± 0.005 Å
• α: 90°
• β: 90.477 ± 0.004°
• γ: 90°
• Cell volume: 2448 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1147
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No