Information card for entry 1502038

Structure parameters

• Formula: C24 H22 N2 O3
• Calculated formula: C24 H22 N2 O3
• SMILES: o1c2cc(N(C)C)ccc2c2cc3c4ccccc4N(C(OC)c3cc2c1=O)C
• Title of publication: Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.
• Authors of publication: Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1658 - 1661
• a: 15.6502 ± 0.0011 Å
• b: 13.1606 ± 0.001 Å
• c: 37.823 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7790.3 ± 1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1569
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No