Information card for entry 4115138

Structure parameters

• Chemical name: 4b-Hydroxy-4b,6,7,8,9,10-hexahydro-5H-10,12a-diaza- cyclodeca[a]indene-11,13-dione, C15 H18 N2 O3
• Formula: C15 H18 N2 O3
• Calculated formula: C15 H18 N2 O3
• SMILES: c1cccc2C3(CCCCCNC(=O)CN3C(=O)c12)O
• Title of publication: A Photochemical Route for Efficient Cyclopeptide Formation with a Minimum of Protection and Activation Chemistry
• Authors of publication: Axel G. Griesbeck; Thomas Heinrich; Michael Oelgemöller; Johann Lex; Arne Molis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10972 - 10973
• a: 19.081 ± 0.001 Å
• b: 11.196 ± 0.001 Å
• c: 13.965 ± 0.001 Å
• α: 90°
• β: 111.48 ± 0.01°
• γ: 90°
• Cell volume: 2776.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1377
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No