Information card for entry 1517497

Structure parameters

• Formula: C10 H15 Br
• Calculated formula: C10 H15 Br
• SMILES: C1(Br)C2CC3CC(CC1C3)C2
• Title of publication: Polymorphism in 2-x-adamantane derivatives (x = cl, br).
• Authors of publication: Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 32
• Pages of publication: 9595 - 9603
• a: 6.5912 ± 0.0007 Å
• b: 8.2254 ± 0.0009 Å
• c: 16.8717 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 914.7 ± 0.16 ų
• Cell temperature: 260 K
• Ambient diffraction temperature: 260 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No