Crystallography Open Database

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Searching journal of publication like 'Journal of Molecular Structure'

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1528524 CIFC4 H O4 RbP 1 21/c 14.1472; 15.8467; 8.0608
90; 96.25; 90
526.603Georgopoulos, S.L.; de Oliveira, L.F.C.; Diniz, R.; Rodrigues, B.L.
Crystal structure and Raman spectra of rubidium hydrogen squarate
Journal of Molecular Structure, 2005, 741, 61-66
1529238 CIF
HKL
C7 H8 N2 O2 SP 1 21/c 18.8268; 12.044; 8.0998
90; 105.388; 90
830.2Golovnev, Nikolay; Molokeev, Maxim; Tarasova, Ludmila; Atuchin, Victor; Vladimirova, Natalya
The 5-(isopropylidene)-2-thiobarbituric acid: Preparation, crystal structure, thermal stability and IR-characterization
Journal of Molecular Structure, 2014, 1068, 216
1529502 CIF
HKL
C14 H22 N2 O3 SP 21 21 219.7454; 11.2225; 13.9171
90; 90; 90
1522.08N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; Yu.V. Goryunov; V.V. Atuchin
New class of bicyclic compounds derived from thiobarbituric acid with representative compound 1,3-diethyl-7-hydroxy-5,5,7-trimethyl- 2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one. Preparation, crystal structure, mass spectrometry and IR spectroscopy.
Journal of Molecular Structure, 2015, 1102, 101-107
1531111 CIFC3 H18 Bi Br6 N9C 1 2/c 131.882; 8.934; 29.058
90; 92.72; 90
8267.38Bator, G.; Zaleski, J.; Zeegers-Huyskens, T.; Jakubas, R.
Structure and phase transitions in guanidinium halogenobismuthates(III)
Journal of Molecular Structure, 2001, 570, 61-74
1532422 CIFH6 Mg3 O12 S2P b c m7.177; 9.804; 12.775
90; 90; 90
898.891Yue Tao; Gao Shiyang; Yu Kaibei; Xia Shuping; Zhi Li-Xia
Crystal growth and crystal structure of magnesium oxysulfate 2(Mg S O4) * (Mg (O H)2) * 2(H2 O)
Journal of Molecular Structure, 2002, 616, 247-252

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