Information card for entry 8100990

Structure parameters

• Formula: C14 H21 N3 O Si
• Calculated formula: C14 H21 N3 O Si
• SMILES: [Si]([C@@H]1[C@H](O)Cc2c(N3N=NC[C@@H]13)cccc2)(C)(C)C
• Title of publication: Crystal structure of (3aS,4S,5R)-4-trimethylsilyl-3a,4,5,6-tetrahydro- 3H-1,2,10b-triaza-benzo[e]azulen-5-ol, C~14~H~21~N~3~OSi
• Authors of publication: Ducray, Richard; Grosvalet, Laurent; Ciufolini, Marco A.; Perrin, Monique
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 347 - 348
• a: 7.946 ± 0.0016 Å
• b: 12.255 ± 0.003 Å
• c: 15.389 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1498.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No