Information card for entry 4001346

Structure parameters

• Formula: C36 H58 Ca O6
• Calculated formula: C36 H58 Ca O6
• SMILES: [Ca]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C
• Title of publication: Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics
• Authors of publication: Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 2016
• a: 9.299 ± 0.0013 Å
• b: 14.164 ± 0.002 Å
• c: 13.927 ± 0.002 Å
• α: 90°
• β: 101.17 ± 0.003°
• γ: 90°
• Cell volume: 1799.6 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0634
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No