Information card for entry 2300267

Structure parameters

• Formula: C2 D11 N O2
• Calculated formula: C2 D11 N O2
• SMILES: C([2H])(O[2H])([2H])[2H].C([2H])([2H])(O[2H])[2H].N([2H])([2H])[2H]
• Title of publication: The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
• Authors of publication: Fortes, A. D.; Wood, I. G.; Knight, K. S.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 328 - 336
• a: 12.70615 ± 0.00016 Å
• b: 8.84589 ± 0.00009 Å
• c: 4.73876 ± 0.00004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 532.623 ± 0.01 ų
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No