Information card for entry 4301446

Structure parameters

• Formula: C15 H24 O4
• Calculated formula: C15 H24 O4
• SMILES: O=C1C(=C\C(=O)O)/CC[C@@]2([C@H](CCC[C@]12C)C)C.O
• Title of publication: Accelerated Photorelease of NO from {Ru-NO}6 Nitrosyls Containing Carboxamido-N and Carboxylato-O Donors: Syntheses, Structures, and Photochemistry
• Authors of publication: Genevieve M. Halpenny; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1490 - 1497
• a: 7.2266 ± 0.0005 Å
• b: 6.4086 ± 0.0004 Å
• c: 15.4198 ± 0.001 Å
• α: 90°
• β: 96.597 ± 0.001°
• γ: 90°
• Cell volume: 709.4 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No