Information card for entry 4024109

Structure parameters

• Formula: C30 H24 O2
• Calculated formula: C30 H24 O2
• SMILES: O=C([C@H]1[C@@H]([C@H]([C@H]1c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1ccccc1.O=C([C@@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Photoinduced C-N Bond Cleavage in 2-Azido-1,3-diphenyl-propan-1-one Derivatives: Photorelease of Hydrazoic Acid
• Authors of publication: Rodney F. Klima; Abhijit V. Jadhav; Pradeep N. D. Singh; Mingxin Chang; Christine Vanos; Jagadis Sankaranarayanan; Mai Vu; Nazarin Ibrahim; Elaine Ross; Shaun McCloskey; Rajesh S. Murthy; Jeanette A. Krause; Bruce S. Ault; Anna D. Gudmundsdóttir
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 6372 - 6381
• a: 16.5672 ± 0.0018 Å
• b: 5.917 ± 0.0006 Å
• c: 23.228 ± 0.003 Å
• α: 90°
• β: 104.453 ± 0.002°
• γ: 90°
• Cell volume: 2204.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.1313
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No