Information card for entry 7219861

Structure parameters

• Formula: C19 H17 N3 O
• Calculated formula: C19 H17 N3 O
• SMILES: c12ccccc1c1c(C3NC(=O)c4ccccc4N3CC1)n2C
• Title of publication: A short and highly convergent approach for the synthesis of rutaecarpine derivatives
• Authors of publication: Basireddy, Venkata Subba Reddy; Ramisetti, Anjibabu; Reddy, Jagan Mohan; Balasubramanian, Sridhar; Ramalingamurthy, T.; Pranathi, Patlollu; kalivendi, shasi v; Prabhakar Rao, Tadikamalla
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.2058 ± 0.001 Å
• b: 5.263 ± 0.0004 Å
• c: 22.7073 ± 0.0017 Å
• α: 90°
• β: 100.007 ± 0.01°
• γ: 90°
• Cell volume: 1554.2 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No