Information card for entry 4001349

Structure parameters

• Formula: C40 H66 Ca O5
• Calculated formula: C40 H66 Ca O5
• SMILES: [Ca]([O]1CCCC1)([O]1CCCC1)(Oc1c(C(C)(C)C)cccc1C(C)(C)C)([O]1CCCC1)Oc1c(C(C)(C)C)cccc1C(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: 21.576 ± 0.003 Å
• b: 9.778 ± 0.0013 Å
• c: 19.013 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4011.2 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No