Information card for entry 9012768

Structure parameters

• Mineral name: Simonellite
• Formula: C19 H24
• Calculated formula: C19
• SMILES: C1(CCCc2c1ccc1cc(ccc21)C(C)C)(C)C
• Title of publication: The X-ray crystal and molecular structure of an organic mineral: simonellite, C19H24 Locality: synthetic
• Authors of publication: Foresti, E.; Riva di Sanseverino, L.
• Journal of publication: Atti della Accademia Nazionale dei Lincei
• Year of publication: 1969
• Journal volume: 47
• Pages of publication: 41 - 54
• a: 9.231 Å
• b: 9.134 Å
• c: 36.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3036.22 ų
• Number of distinct elements: 2
• Space group number: 56
• Hermann-Mauguin space group symbol: P n a a
• Hall space group symbol: -P 2ac 2bc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No