Information card for entry 1517496

Structure parameters

• Formula: C10 H15 Cl
• Calculated formula: C10 H15 Cl
• SMILES: C1(Cl)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: 6.4681 ± 0.0015 Å
• b: 6.7071 ± 0.0014 Å
• c: 11.012 ± 0.002 Å
• α: 91.016 ± 0.017°
• β: 90.85 ± 0.02°
• γ: 115.238 ± 0.013°
• Cell volume: 431.92 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No