Crystallography Open Database

Result : There are 23436 entries in the selection

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Searching year of publication is 2010

COD ID: 1500024
CIF file Formula: - C7 H17 Cl N2 O2 -
Comments: Armel Le Bail <i>Ab initio</i> structure determination of bethanechol chloride Powder Diffraction 25 (2010)
Space group: P 1 21/n 1
Cell volume: 1037.28
Cell parameters: 8.8749; 16.4118; 7.1373; 90; 93.8031; 90;  

COD ID: 1500028
CIF file Formula: - C18 H29 Cu N13 O4 -
Comments: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron 29 (2010) 372-378
Space group: P 1 21/c 1
Cell volume: 2276.3
Cell parameters: 8.4355; 40.985; 7.1685; 90; 113.298; 90;  

COD ID: 1500029
CIF file Formula: - C16 H32 Cu N14 O6 -
Comments: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron 29 (2010) 372-378
Space group: P -1
Cell volume: 625.18
Cell parameters: 7.5499; 8.1885; 10.9247; 108.819; 96.302; 97.634;  

COD ID: 1500030
CIF file Formula: - C36 H54 Cu2 N14 O18 -
Comments: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Inorganic Chemistry Communications 13 (2010) 399-403
Space group: P -1
Cell volume: 1148.6
Cell parameters: 9.2352; 11.433; 11.7995; 71.035; 87.722; 77.265;  

COD ID: 1500038
CIF file Formula: - C16 H34 N14 Ni O7 -
Comments: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron 29 (2010) 372-378
Space group: P -1
Cell volume: 636.5
Cell parameters: 8.1905; 8.2396; 10.8651; 95.215; 95.77; 117.933;  

COD ID: 1501516
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.7517
Cell parameters: 2.9059; 2.9059; 2.83767; 90; 90; 120;  

COD ID: 1501517
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.7506
Cell parameters: 2.90583; 2.90583; 2.83765; 90; 90; 120;  

COD ID: 1501518
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.7349
Cell parameters: 2.90512; 2.90512; 2.83689; 90; 90; 120;  

COD ID: 1501519
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.6551
Cell parameters: 2.9007; 2.9007; 2.83459; 90; 90; 120;  

COD ID: 1501520
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.5236
Cell parameters: 2.89385; 2.89385; 2.8299; 90; 90; 120;  

COD ID: 1501521
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.1552
Cell parameters: 2.87453; 2.87453; 2.81659; 90; 90; 120;  

COD ID: 1501522
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.9711
Cell parameters: 2.86489; 2.86489; 2.80967; 90; 90; 120;  

COD ID: 1501523
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.8278
Cell parameters: 2.85737; 2.85737; 2.80421; 90; 90; 120;  

COD ID: 1501524
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.7983
Cell parameters: 2.85592; 2.85592; 2.80289; 90; 90; 120;  

COD ID: 1501525
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.6799
Cell parameters: 2.84977; 2.84977; 2.79816; 90; 90; 120;  

COD ID: 1501526
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.6711
Cell parameters: 2.84938; 2.84938; 2.79768; 90; 90; 120;  

COD ID: 1501527
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.5583
Cell parameters: 2.8436; 2.8436; 2.79295; 90; 90; 120;  

COD ID: 1501528
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.3895
Cell parameters: 2.83473; 2.83473; 2.7862; 90; 90; 120;  

COD ID: 1501529
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.5496
Cell parameters: 2.89455; 2.89455; 2.83211; 90; 90; 120;  

COD ID: 1501530
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.3455
Cell parameters: 2.88442; 2.88442; 2.82371; 90; 90; 120;  

COD ID: 1501531
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.1752
Cell parameters: 2.87567; 2.87567; 2.81714; 90; 90; 120;  

COD ID: 1501532
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.8425
Cell parameters: 2.85839; 2.85839; 2.80429; 90; 90; 120;  

COD ID: 1501533
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.7022
Cell parameters: 2.85075; 2.85075; 2.79941; 90; 90; 120;  

COD ID: 1501534
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.5829
Cell parameters: 2.84482; 2.84482; 2.79406; 90; 90; 120;  

COD ID: 1501535
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.4107
Cell parameters: 2.83614; 2.83614; 2.78648; 90; 90; 120;  

COD ID: 1501536
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.5739
Cell parameters: 2.8957; 2.8957; 2.83321; 90; 90; 120;  

COD ID: 1501537
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.3724
Cell parameters: 2.88609; 2.88609; 2.82417; 90; 90; 120;  

COD ID: 1501538
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.1967
Cell parameters: 2.87688; 2.87688; 2.81777; 90; 90; 120;  

COD ID: 1501539
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.8707
Cell parameters: 2.8598; 2.8598; 2.8055; 90; 90; 120;  

COD ID: 1501540
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.7294
Cell parameters: 2.85203; 2.85203; 2.80076; 90; 90; 120;  

COD ID: 1501541
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.6153
Cell parameters: 2.84648; 2.84648; 2.79542; 90; 90; 120;  

COD ID: 1501542
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.4628
Cell parameters: 2.83895; 2.83895; 2.78842; 90; 90; 120;  

COD ID: 1501543
CIF file Formula: - C178 H191 N O13 -
Comments: Gagnon, Eric; Maris, Thierry; Wuest,James D Triarylamines Designed to Form Molecular Glasses. Derivatives of Tris(p-terphenyl-4-yl)amine with Multiple Contiguous Phenyl Substituents Organic Letters 12 (2010) 404-407
Space group: P 1 n 1
Cell volume: 7285.9
Cell parameters: 16.8098; 10.8804; 40.022; 90; 95.523; 90;  

COD ID: 1501544
CIF file Formula: - C33 H30 N2 O6 -
Comments: Daniel J. St-Cyr; Thierry Maris; William D. Lubel Crystal-State Structural Analysis of Beta-Hydroxy-gamma-Lactam Constrained SER/THR Peptidomimetics Heterocycles 82 (2010) 729-737
Space group: P 1 21 1
Cell volume: 1374.08
Cell parameters: 4.9653; 13.6703; 20.3533; 90; 95.949; 90;  

COD ID: 1501545
CIF file Formula: - C26 H30 N2 O6 -
Comments: Daniel J. St-Cyr; Thierry Maris; William D. Lubel Crystal-State Structural Analysis of Beta-Hydroxy-gamma-Lactam Constrained SER/THR Peptidomimetics Heterocycles 82 (2010) 729-737
Space group: P 1 21 1
Cell volume: 1203.49
Cell parameters: 14.1833; 6.0199; 14.6315; 90; 105.559; 90;  

COD ID: 1501553
CIF file Formula: - C10 H24 Ag Cl O4 S4 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975
Space group: P 1 21/c 1
Cell volume: 1853.66
Cell parameters: 8.0656; 21.8175; 10.5558; 90; 93.691; 90;  

COD ID: 1501554
CIF file Formula: - C10 H24 Ag B F4 S4 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975
Space group: P 1 21/c 1
Cell volume: 1821.58
Cell parameters: 8.0371; 21.6514; 10.4766; 90; 92.324; 90;  

COD ID: 1501555
CIF file Formula: - C9 H18 Ag F3 O4 S3 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975
Space group: P 21 21 21
Cell volume: 1639.87
Cell parameters: 8.0541; 9.6501; 21.099; 90; 90; 90;  

COD ID: 1501556
CIF file Formula: - C5 H12 Ag F6 S2 Sb -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975
Space group: C 1 2/c 1
Cell volume: 2544.83
Cell parameters: 18.1075; 7.9194; 18.0488; 90; 100.504; 90;  

COD ID: 1501557
CIF file Formula: - C19 H22 Ag2 O4 S2 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975
Space group: C 1 2/c 1
Cell volume: 2012.9
Cell parameters: 25.716; 7.8986; 9.9444; 90; 94.775; 90;  

COD ID: 1501558
CIF file Formula: - C7 H12 Ag F3 O2 S2 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975
Space group: P b c a
Cell volume: 2432.2
Cell parameters: 7.6138; 16.0573; 19.894; 90; 90; 90;  

COD ID: 1501559
CIF file Formula: - C9 H12 Ag F7 O2 S2 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975
Space group: P -1
Cell volume: 748.72
Cell parameters: 7.8429; 8.186; 12.5548; 78.115; 74.271; 77.759;  

COD ID: 1501560
CIF file Formula: - C7 H12 Ag F2 O2 S2 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975
Space group: P -1
Cell volume: 551.93
Cell parameters: 7.6593; 8.315; 10; 112.09; 107.066; 94.179;  

COD ID: 1501561
CIF file Formula: - C57 H48 Ag6 F12 O12 S6 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris; Elias Said Dirieh Four New Ag(I) Coordination Polymers: Synthesis, Crystal Structures and Thermal Stability J. Inorg. Organomet. Polym. 20 (2010) 816-824
Space group: P 1 21/c 1
Cell volume: 6396.37
Cell parameters: 10.4359; 23.9932; 25.6039; 90; 93.868; 90;  

COD ID: 1501562
CIF file Formula: - C41 H44 Ag5 F15 O17 S9 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris; Elias Said Dirieh Four New Ag(I) Coordination Polymers: Synthesis, Crystal Structures and Thermal Stability J. Inorg. Organomet. Polym. 20 (2010) 816-824
Space group: P 1 21/c 1
Cell volume: 6138.24
Cell parameters: 17.4256; 24.3524; 14.9472; 90; 104.595; 90;  

COD ID: 1501563
CIF file Formula: - C13 H15 Ag O3 S3 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris; Elias Said Dirieh Four New Ag(I) Coordination Polymers: Synthesis, Crystal Structures and Thermal Stability J. Inorg. Organomet. Polym. 20 (2010) 816-824
Space group: P 1 21/c 1
Cell volume: 1496.73
Cell parameters: 8.3129; 21.554; 8.9118; 90; 110.39; 90;  

COD ID: 1501564
CIF file Formula: - C56 H56 Ag10 N10 O30 S8 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris; Elias Said Dirieh Four New Ag(I) Coordination Polymers: Synthesis, Crystal Structures and Thermal Stability J. Inorg. Organomet. Polym. 20 (2010) 816-824
Space group: P 1 21/n 1
Cell volume: 7797.7
Cell parameters: 9.6877; 25.1542; 32.2345; 90; 96.929; 90;  

COD ID: 1501567
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.61
Cell parameters: 2.89827; 2.89827; 2.83315; 90; 90; 120;  

COD ID: 1501568
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.3805
Cell parameters: 2.8866; 2.8866; 2.8243; 90; 90; 120;  

COD ID: 1501569
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.2231
Cell parameters: 2.87816; 2.87816; 2.81895; 90; 90; 120;  

COD ID: 1501570
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.8943
Cell parameters: 2.86093; 2.86093; 2.80662; 90; 90; 120;  

COD ID: 1501571
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.7587
Cell parameters: 2.85397; 2.85397; 2.8011; 90; 90; 120;  

COD ID: 1501572
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.646
Cell parameters: 2.84777; 2.84777; 2.79727; 90; 90; 120;  

COD ID: 1501573
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.4937
Cell parameters: 2.84075; 2.84075; 2.78931; 90; 90; 120;  

COD ID: 1501574
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.6346
Cell parameters: 2.89879; 2.89879; 2.83552; 90; 90; 120;  

COD ID: 1501575
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.4122
Cell parameters: 2.88816; 2.88816; 2.82564; 90; 90; 120;  

COD ID: 1501576
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.2678
Cell parameters: 2.88063; 2.88063; 2.82034; 90; 90; 120;  

COD ID: 1501577
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.9202
Cell parameters: 2.86254; 2.86254; 2.80711; 90; 90; 120;  

COD ID: 1501578
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.7883
Cell parameters: 2.85513; 2.85513; 2.80302; 90; 90; 120;  

COD ID: 1501579
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.6772
Cell parameters: 2.84955; 2.84955; 2.79821; 90; 90; 120;  

COD ID: 1501580
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.5791
Cell parameters: 2.84464; 2.84464; 2.79388; 90; 90; 120;  

COD ID: 1501581
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.6642
Cell parameters: 2.89984; 2.89984; 2.83753; 90; 90; 120;  

COD ID: 1501582
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.5019
Cell parameters: 2.89234; 2.89234; 2.82986; 90; 90; 120;  

COD ID: 1501583
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.2858
Cell parameters: 2.88073; 2.88073; 2.82265; 90; 90; 120;  

COD ID: 1501584
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.9456
Cell parameters: 2.86285; 2.86285; 2.81008; 90; 90; 120;  

COD ID: 1501585
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.8412
Cell parameters: 2.85783; 2.85783; 2.8052; 90; 90; 120;  

COD ID: 1501586
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.7319
Cell parameters: 2.85251; 2.85251; 2.80017; 90; 90; 120;  

COD ID: 1501587
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.6621
Cell parameters: 2.84905; 2.84905; 2.79704; 90; 90; 120;  

COD ID: 1501588
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.7627
Cell parameters: 2.9054; 2.9054; 2.84015; 90; 90; 120;  

COD ID: 1501589
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.6217
Cell parameters: 2.89823; 2.89823; 2.83484; 90; 90; 120;  

COD ID: 1501590
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 20.3135
Cell parameters: 2.88207; 2.88207; 2.82387; 90; 90; 120;  

COD ID: 1501591
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.9876
Cell parameters: 2.86543; 2.86543; 2.81093; 90; 90; 120;  

COD ID: 1501592
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.8726
Cell parameters: 2.85951; 2.85951; 2.80634; 90; 90; 120;  

COD ID: 1501593
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.7713
Cell parameters: 2.85474; 2.85474; 2.80138; 90; 90; 120;  

COD ID: 1501594
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.7373
Cell parameters: 2.85294; 2.85294; 2.80009; 90; 90; 120;  

COD ID: 1501595
CIF file Formula: - C W -
Comments: Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K Journal of Applied Physics 108(5) (2010)
Space group: P -6 m 2
Cell volume: 19.8063
Cell parameters: 2.85683; 2.85683; 2.80223; 90; 90; 120;  

COD ID: 1502624
CIF file Formula: - C48 H49 Fe Lu N2 O -
Comments: Diaconescu, Paula L. Reactions of aromatic N-heterocycles with d0fn-metal alkyl complexes supported by chelating diamide ligands. Accounts of chemical research 43(10) (2010) 1352-1363
Space group: P c c a
Cell volume: 8107.5
Cell parameters: 20.6899; 23.815; 16.4542; 90; 90; 90;  

COD ID: 1502625
CIF file Formula: - C23.6 H23 Br0.2 F2.4 N7 O8.6 Re -
Comments: Struthers, Harriet; Viertl, David; Kosinski, Marek; Spingler, Bernhard; Buchegger, Franz; Schibli, Roger Charge dependent substrate activity of C3' and N3 functionalized, organometallic technetium and rhenium-labeled thymidine derivatives toward human thymidine kinase 1. Bioconjugate chemistry 21(4) (2010) 622-634
Space group: P 21 21 21
Cell volume: 2897.43
Cell parameters: 8.00672; 15.303; 23.6473; 90; 90; 90;  

COD ID: 1502626
CIF file Formula: - C17 H16 Br N O3 S -
Comments: Yao, Chang-Sheng; Wang, Cui-Hua; Jiang, Bei; Tu, Shu-Jiang One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives. Journal of combinatorial chemistry 12(4) (2010) 472-475
Space group: P 1 21/n 1
Cell volume: 1629.89
Cell parameters: 7.9826; 15.1896; 14.0058; 90; 106.311; 90;  

COD ID: 1502627
CIF file Formula: - C27 H26 Cl N O2 S -
Comments: Yao, Chang-Sheng; Wang, Cui-Hua; Jiang, Bei; Tu, Shu-Jiang One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives. Journal of combinatorial chemistry 12(4) (2010) 472-475
Space group: P 1 21/n 1
Cell volume: 2377.21
Cell parameters: 14.7445; 11.168; 15.5403; 90; 111.725; 90;  

COD ID: 1502628
CIF file Formula: - C24 H27 Cl2 N3 O S -
Comments: Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity. Journal of combinatorial chemistry 12(4) (2010) 518-530
Space group: C 1 2/c 1
Cell volume: 4726.2
Cell parameters: 22.27; 11.0361; 19.418; 90; 97.983; 90;  

COD ID: 1502629
CIF file Formula: - C30 H34 Cl N3 O2 S -
Comments: Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity. Journal of combinatorial chemistry 12(4) (2010) 518-530
Space group: C 1 2/c 1
Cell volume: 5511
Cell parameters: 38.497; 12.466; 11.636; 90; 99.309; 90;  

COD ID: 1502630
CIF file Formula: - C17 H17 F O3 -
Comments: Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V. Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes. Journal of combinatorial chemistry 12(6) (2010) 855-876
Space group: P 1 21/c 1
Cell volume: 1454.6
Cell parameters: 9.6423; 20.332; 7.4807; 90; 97.331; 90;  

COD ID: 1502631
CIF file Formula: - C19 H19 N O5 -
Comments: Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V. Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes. Journal of combinatorial chemistry 12(6) (2010) 855-876
Space group: P -1
Cell volume: 848.2
Cell parameters: 8.025; 8.415; 14.351; 87.633; 83.514; 61.76;  

COD ID: 1502632
CIF file Formula: - C19 H14 N2 O2 -
Comments: Li, Dewen; Duan, Shudong; Hu, Youhong Three-component one-pot approach to synthesize benzopyrano[4,3-d]pyrimidines. Journal of combinatorial chemistry 12(6) (2010) 895-899
Space group: P 1 21/c 1
Cell volume: 1473.7
Cell parameters: 17.3823; 5.3652; 16.7899; 90; 109.752; 90;  

COD ID: 1502633
CIF file Formula: - C25 H20 N4 S2 -
Comments: Han, Zheng-Guo; Miao, Chun-Bao; Shi, Feng; Ma, Ning; Zhang, Ge; Tu, Shu-Jiang Diversity Synthesis of N-Substituted 2-Amino-1,6-naphthyridine Derivatives under Microwave Irradiation Journal of Combinatorial Chemistry 12(1) (2010) 16
Space group: P 1 21/n 1
Cell volume: 2179.3
Cell parameters: 11.0619; 11.2598; 17.5329; 90; 93.662; 90;  

COD ID: 1502634
CIF file Formula: - C22 H35 N3 O2.5 S0.5 -
Comments: Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines Journal of Combinatorial Chemistry 12(1) (2010) 186
Space group: C 1 2/c 1
Cell volume: 9277.2
Cell parameters: 27.1869; 10.2149; 34.7688; 90; 106.095; 90;  

COD ID: 1502635
CIF file Formula: - C18 H25 N3 O2 -
Comments: Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines Journal of Combinatorial Chemistry 12(1) (2010) 186
Space group: P 1 21/n 1
Cell volume: 1746.42
Cell parameters: 5.7118; 25.8049; 11.8905; 90; 94.801; 90;  

COD ID: 1502636
CIF file Formula: - C23 H21 N O3 -
Comments: Lin, Chi-Hui; Chen, Jhih-Rong; Yang, Ding-Yah Syntheses of Quaternary Carbon-Containing Oxazatricycle and Spiropyran Libraries via Multicomponent Reactions and Their Molecular Switching Properties Journal of Combinatorial Chemistry 12(1) (2010) 119
Space group: P -1
Cell volume: 918.49
Cell parameters: 9.2085; 9.6607; 11.2222; 77.053; 80.455; 71.635;  

COD ID: 1502637
CIF file Formula: - C31 H29 N O5 -
Comments: Lin, Chi-Hui; Chen, Jhih-Rong; Yang, Ding-Yah Syntheses of Quaternary Carbon-Containing Oxazatricycle and Spiropyran Libraries via Multicomponent Reactions and Their Molecular Switching Properties Journal of Combinatorial Chemistry 12(1) (2010) 119
Space group: P -1
Cell volume: 1485.7
Cell parameters: 9.6289; 12.161; 13.927; 75.761; 89.878; 70.641;  

COD ID: 1502638
CIF file

Original IUCr paper

 Formula: - C25 H15 Br N4 -
Comments: Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T. Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole Journal of Combinatorial Chemistry 12(1) (2010) 161
Space group: P b c a
Cell volume: 4027.23
Cell parameters: 14.7393; 10.7465; 25.4251; 90; 90; 90;  

COD ID: 1502639
CIF file

Original IUCr paper

 Formula: - C25 H16 Cl2 N4 -
Comments: Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T. Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole Journal of Combinatorial Chemistry 12(1) (2010) 161
Space group: P -1
Cell volume: 1067.3
Cell parameters: 8.0158; 10.0261; 14.3653; 72.26; 79.42; 78.224;  

COD ID: 1502640
CIF file

Original IUCr paper

 Formula: - C25 H14 Cl2 N4 -
Comments: Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T. Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole Journal of Combinatorial Chemistry 12(1) (2010) 161
Space group: P 1 21/c 1
Cell volume: 4036.8
Cell parameters: 10.0307; 22.446; 17.932; 90; 90.991; 90;  

COD ID: 1502641
CIF file Formula: - C21 H18 Cl N O -
Comments: Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine. Journal of combinatorial chemistry 12(2) (2010) 266-269
Space group: P -1
Cell volume: 813.92
Cell parameters: 9.2367; 9.6213; 10.4565; 103.872; 114.049; 92.266;  

COD ID: 1502642
CIF file Formula: - C25 H20 F N O -
Comments: Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine. Journal of combinatorial chemistry 12(2) (2010) 266-269
Space group: P -1
Cell volume: 915.66
Cell parameters: 9.1128; 10.1416; 10.6352; 76.379; 81.633; 74.199;  

COD ID: 1502643
CIF file Formula: - C12 H16 N2 O -
Comments: Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids Journal of Combinatorial Chemistry 12(4) (2010) 417-421
Space group: P 1 21/c 1
Cell volume: 1139.2
Cell parameters: 9.7976; 11.3938; 11.8365; 90; 120.442; 90;  

COD ID: 1502644
CIF file Formula: - C14 H18 N2 O -
Comments: Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids Journal of Combinatorial Chemistry 12(4) (2010) 417-421
Space group: C 1 2/c 1
Cell volume: 9969
Cell parameters: 39.9096; 11.2986; 29.634; 90; 131.752; 90;  

COD ID: 1502645
CIF file Formula: - C12 H14 N2 O S -
Comments: Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids Journal of Combinatorial Chemistry 12(4) (2010) 417-421
Space group: P 1 21/n 1
Cell volume: 1106.16
Cell parameters: 6.9285; 14.9028; 10.7454; 90; 94.45; 90;  

COD ID: 1502646
CIF file Formula: - C14 H13 N3 O S -
Comments: Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry 12(2) (2010) 286-291
Space group: P -1
Cell volume: 632.4
Cell parameters: 4.906; 9.9103; 14.4818; 91.786; 104.35; 110.743;  

COD ID: 1502647
CIF file Formula: - C19 H21 N3 O S -
Comments: Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry 12(2) (2010) 286-291
Space group: P 1 21/c 1
Cell volume: 1705.72
Cell parameters: 19.8028; 5.2167; 17.3692; 90; 108.081; 90;  

COD ID: 1502648
CIF file Formula: - C22 H19 N3 O2 S -
Comments: Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry 12(2) (2010) 286-291
Space group: C 1 2/c 1
Cell volume: 3819.1
Cell parameters: 17.4388; 15.7401; 14.454; 90; 105.718; 90;  

COD ID: 1502649
CIF file Formula: - C19 H16 N4 O S -
Comments: Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry 12(2) (2010) 286-291
Space group: P 1 21/n 1
Cell volume: 1674.89
Cell parameters: 6.9999; 17.428; 13.8297; 90; 96.91; 90;  

COD ID: 1502650
CIF file Formula: - C16 H13 Cl -
Comments: Shi, Min; Shao, Li-Xiong; Lu, Jian-Mei; Wei, Yin; Mizuno, Kazuhiko; Maeda, Hajime Chemistry of vinylidenecyclopropanes. Chemical reviews 110(10) (2010) 5883-5913
Space group: P -1
Cell volume: 627.9
Cell parameters: 7.673; 8.574; 9.724; 99.406; 93.714; 93.823;  

COD ID: 1502651
CIF file Formula: - C21 H22 -
Comments: Shi, Min; Shao, Li-Xiong; Lu, Jian-Mei; Wei, Yin; Mizuno, Kazuhiko; Maeda, Hajime Chemistry of vinylidenecyclopropanes. Chemical reviews 110(10) (2010) 5883-5913
Space group: P -1
Cell volume: 1711.9
Cell parameters: 10.3256; 11.1547; 15.7258; 108.462; 93.591; 91.936;  

COD ID: 1502652
CIF file Formula: - C18 H36 Cd N42 O18 -
Comments: Li, Zhi-Min; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Shu, Yuan-Jie; Sinditskii, Valery P.; Serushkin, Valery V.; Egorshin, Vyacheslav Yu. A Novel Nitrogen-Rich Cadmium Coordination Compound Based on 1,5-Diaminotetrazole: Synthesis, Structure Investigation, and Thermal Properties Journal of Chemical & Engineering Data 55(9) (2010) 3109
Space group: P -1
Cell volume: 1132.8
Cell parameters: 10.3425; 10.3727; 11.9922; 110.546; 104.412; 97.464;  

COD ID: 1502653
CIF file Formula: - C18.67 H21.33 N2.67 O3.33 S1.33 Sn1.33 -
Comments: Wang, Zhi-Hong; Guo, Yan-Zhao; Zhang, Jun; Ma, Lin; Song, Hai-Bin; Fan, Zhi-Jin Synthesis and biological activity of organotin 4-methyl-1,2,3-thiadiazole-5-carboxylates and benzo[1,2,3]thiadiazole-7-carboxylates. Journal of agricultural and food chemistry 58(5) (2010) 2715-2719
Space group: P -1
Cell volume: 1546.7
Cell parameters: 11.008; 12.502; 13.118; 74.75; 71.81; 65.93;  

COD ID: 1502654
CIF file Formula: - C31 H28 Cl4 N8 O4 S2 -
Comments: Shao, Xusheng; Xu, Zhiping; Zhao, Xianfeng; Xu, Xiaoyong; Tao, Liming; Li, Zhong; Qian, Xuhong Synthesis, crystal structure, and insecticidal activities of highly congested hexahydroimidazo[1,2-a]pyridine derivatives: effect of conformation on activities. Journal of agricultural and food chemistry 58(5) (2010) 2690-2695
Space group: P 1 21/c 1
Cell volume: 3441
Cell parameters: 14.4537; 15.5982; 15.9569; 90; 106.962; 90;  

COD ID: 1502655
CIF file Formula: - C14.5 H16 Cl2 N4 O3 -
Comments: Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities. Journal of agricultural and food chemistry 58(5) (2010) 2696-2702
Space group: C 1 2/c 1
Cell volume: 3175.8
Cell parameters: 22.13; 9.2835; 15.475; 90; 92.678; 90;  

COD ID: 1502656
CIF file Formula: - C15 H17 Cl N4 O3 -
Comments: Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities. Journal of agricultural and food chemistry 58(5) (2010) 2696-2702
Space group: P 1 21/n 1
Cell volume: 1497.4
Cell parameters: 8.1431; 17.6252; 10.9792; 90; 108.142; 90;  

COD ID: 1502657
CIF file Formula: - C13 H10 N6 O S2 -
Comments: Fan, Zhijin; Yang, Zhikun; Zhang, Haike; Mi, Na; Wang, Huan; Cai, Fei; Zuo, Xiang; Zheng, Qingxiang; Song, Haibin Synthesis, crystal structure, and biological activity of 4-methyl-1,2,3-thiadiazole-containing 1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles. Journal of agricultural and food chemistry 58(5) (2010) 2630-2636
Space group: P 1 21/n 1
Cell volume: 1381.1
Cell parameters: 11.325; 5.1849; 23.851; 90; 99.56; 90;  

COD ID: 1502658
CIF file Formula: - C27 H23 Cl3 N4 O2 -
Comments: Yan, Lin; Huo, Pei; Debenham, John S.; Madsen-Duggan, Christina B; Lao, Julie; Chen, Richard Z.; Xiao, Jing Chen; Shen, Chun-Pyn; Stribling, D. Sloan; Shearman, Lauren P.; Strack, Alison M.; Tsou, Nancy; Ball, Richard G.; Wang, Junying; Tong, Xinchun; Bateman, Thomas J.; Reddy, Vijay B. G.; Fong, Tung M.; Hale, Jeffrey J. Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity. Journal of medicinal chemistry 53(10) (2010) 4028-4037
Space group: P 21 21 21
Cell volume: 2508.1
Cell parameters: 11.1695; 11.2252; 20.0044; 90; 90; 90;  

COD ID: 1502659
CIF file Formula: - C17 H18 N4 O2 S -
Comments: Ivachtchenko, Alexandre V.; Dmitriev, Dmitri E.; Golovina, Elena S.; Kadieva, Madina G.; Koryakova, Angela G.; Kysil, Volodymyr M.; Mitkin, Oleg D.; Okun, Ilya M.; Tkachenko, Sergey E.; Vorobiev, Anton A. (3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor. Journal of medicinal chemistry 53(14) (2010) 5186-5196
Space group: P -1
Cell volume: 779.2
Cell parameters: 8.187; 10.274; 11.169; 116.031; 92.445; 108.955;  

COD ID: 1502660
CIF file Formula: - C18 H20 N4 O2 S -
Comments: Ivachtchenko, Alexandre V.; Dmitriev, Dmitri E.; Golovina, Elena S.; Kadieva, Madina G.; Koryakova, Angela G.; Kysil, Volodymyr M.; Mitkin, Oleg D.; Okun, Ilya M.; Tkachenko, Sergey E.; Vorobiev, Anton A. (3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor. Journal of medicinal chemistry 53(14) (2010) 5186-5196
Space group: P 1 21/n 1
Cell volume: 1679.75
Cell parameters: 8.7051; 16.7415; 11.6695; 90; 98.996; 90;  

COD ID: 1502661
CIF file Formula: - C48 H50 N16 Ni O11 -
Comments: Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M. In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi. Journal of medicinal chemistry 53(19) (2010) 6964-6972
Space group: P -1
Cell volume: 2484.7
Cell parameters: 13.8735; 14.2569; 15.0005; 106.463; 99.654; 113.031;  

COD ID: 1502662
CIF file Formula: - C32 H28 N14 Ni O4 -
Comments: Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M. In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi. Journal of medicinal chemistry 53(19) (2010) 6964-6972
Space group: P -1
Cell volume: 1601.9
Cell parameters: 8.738; 12.35; 16.754; 73.779; 75.733; 69.31;  

COD ID: 1502663
CIF file Formula: - C36 H28 N14 Ni O4 -
Comments: Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M. In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi. Journal of medicinal chemistry 53(19) (2010) 6964-6972
Space group: C 1 2/c 1
Cell volume: 3451.9
Cell parameters: 13.226; 15.714; 16.609; 90; 90.107; 90;  

COD ID: 1502664
CIF file Formula: - C25 H52 Gd N5 O10 S -
Comments: Raghunand, Natarajan; Guntle, Gerald P.; Gokhale, Vijay; Nichol, Gary S.; Mash, Eugene A.; Jagadish, Bhumasamudram Design, synthesis, and evaluation of 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid derived, redox-sensitive contrast agents for magnetic resonance imaging. Journal of medicinal chemistry 53(18) (2010) 6747-6757
Space group: P -1
Cell volume: 1783.8
Cell parameters: 8.0364; 10.4906; 21.799; 76.573; 86.307; 88.816;  

COD ID: 1502665
CIF file Formula: - C16 H38 Cl2 N6 O2 Pt -
Comments: Marzano, Cristina; Mazzega Sbovata, Silvia; Gandin, Valentina; Colavito, Davide; Del Giudice, Elda; Michelin, Rino A.; Venzo, Alfonso; Seraglia, Roberta; Benetollo, Franco; Schiavon, Mariano; Bertani, Roberta A new class of antitumor trans-amine-amidine-Pt(II) cationic complexes: influence of chemical structure and solvent on in vitro and in vivo tumor cell proliferation. Journal of medicinal chemistry 53(16) (2010) 6210-6227
Space group: P -1
Cell volume: 605.3
Cell parameters: 7.336; 8.228; 10.622; 83.82; 103.76; 103.21;  

COD ID: 1502666
CIF file Formula: - C19 H28 B10 O -
Comments: Beer, Michael L.; Lemon, Jennifer; Valliant, John F. Preparation and evaluation of carborane analogues of tamoxifen. Journal of medicinal chemistry 53(22) (2010) 8012-8020
Space group: C 1 2 1
Cell volume: 2178.5
Cell parameters: 24.701; 6.5249; 18.081; 90; 131.621; 90;  

COD ID: 1502667
CIF file Formula: - C18 H26 B10 O -
Comments: Beer, Michael L.; Lemon, Jennifer; Valliant, John F. Preparation and evaluation of carborane analogues of tamoxifen. Journal of medicinal chemistry 53(22) (2010) 8012-8020
Space group: P 1 21/n 1
Cell volume: 2082.2
Cell parameters: 17.7571; 6.5335; 18.0351; 90; 95.656; 90;  

COD ID: 1502668
CIF file Formula: - C16 H10 N3 -
Comments: Tan, Caiping; Lai, Sensen; Wu, Shouhai; Hu, Sheng; Zhou, Lingjun; Chen, Yu; Wang, Minxu; Zhu, Yiping; Lian, Wu; Peng, Wenlie; Ji, Liangnian; Xu, Anlong Nuclear permeable ruthenium(II) β-carboline complexes induce autophagy to antagonize mitochondrial-mediated apoptosis. Journal of medicinal chemistry 53(21) (2010) 7613-7624
Space group: P 1 21/c 1
Cell volume: 2381.4
Cell parameters: 15.046; 9.845; 16.267; 90; 98.773; 90;  

COD ID: 1502669
CIF file Formula: - C37 H33 F12 N7 O2 P2 Ru -
Comments: Tan, Caiping; Lai, Sensen; Wu, Shouhai; Hu, Sheng; Zhou, Lingjun; Chen, Yu; Wang, Minxu; Zhu, Yiping; Lian, Wu; Peng, Wenlie; Ji, Liangnian; Xu, Anlong Nuclear permeable ruthenium(II) β-carboline complexes induce autophagy to antagonize mitochondrial-mediated apoptosis. Journal of medicinal chemistry 53(21) (2010) 7613-7624
Space group: P 1 21/c 1
Cell volume: 3850.4
Cell parameters: 14.756; 18.5156; 15.3421; 90; 113.283; 90;  

COD ID: 1502670
CIF file Formula: - C26.5 H33 N O6.5 -
Comments: Auzzas, Luciana; Larsson, Andreas; Matera, Riccardo; Baraldi, Annamaria; Deschênes-Simard, Benoît; Giannini, Giuseppe; Cabri, Walter; Battistuzzi, Gianfranco; Gallo, Grazia; Ciacci, Andrea; Vesci, Loredana; Pisano, Claudio; Hanessian, Stephen Non-natural macrocyclic inhibitors of histone deacetylases: design, synthesis, and activity. Journal of medicinal chemistry 53(23) (2010) 8387-8399
Space group: P 1 21 1
Cell volume: 2511.63
Cell parameters: 5.1805; 17.2642; 28.104; 90; 92.234; 90;  

COD ID: 1502671
CIF file Formula: - C22 H21 N3 O4 -
Comments: Zhu, Mingyan; Kim, Myung Hee; Lee, Sanghee; Bae, Su Jung; Kim, Seong Hwan; Park, Seung Bum Discovery of novel benzopyranyl tetracycles that act as inhibitors of osteoclastogenesis induced by receptor activator of NF-κB ligand. Journal of medicinal chemistry 53(24) (2010) 8760-8764
Space group: C 1 2/c 1
Cell volume: 3905.8
Cell parameters: 17.16; 8.241; 28.64; 90; 105.34; 90;  

COD ID: 1502672
CIF file Formula: - C33 H52 O3 -
Comments: Genet, Cédric; Strehle, Axelle; Schmidt, Céline; Boudjelal, Geoffrey; Lobstein, Annelise; Schoonjans, Kristina; Souchet, Michel; Auwerx, Johan; Saladin, Régis; Wagner, Alain Structure-activity relationship study of betulinic acid, a novel and selective TGR5 agonist, and its synthetic derivatives: potential impact in diabetes. Journal of medicinal chemistry 53(1) (2010) 178-190
Space group: P 21 21 21
Cell volume: 2901.94
Cell parameters: 7.2672; 11.8653; 33.6544; 90; 90; 90;  

COD ID: 1502673
CIF file Formula: - C19 H27 N4 O2.5 -
Comments: Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives. Journal of medicinal chemistry 53(5) (2010) 2324-2328
Space group: C 1 2/c 1
Cell volume: 7276.8
Cell parameters: 13.2127; 14.571; 37.9181; 90; 94.572; 90;  

COD ID: 1502674
CIF file Formula: - C19 H28 N4 O3 -
Comments: Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives. Journal of medicinal chemistry 53(5) (2010) 2324-2328
Space group: P -1
Cell volume: 903.66
Cell parameters: 7.3381; 10.1087; 13.655; 74.375; 75.612; 70.157;  

COD ID: 1502675
CIF file Formula: - B F3 H3 N -
Comments: Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A 114(37) (2010) 10185-10196
Space group: P b c a
Cell volume: 587.07
Cell parameters: 8.0067; 7.9511; 9.2216; 90; 90; 90;  

COD ID: 1502676
CIF file Formula: - B H7 N2 -
Comments: Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A 114(37) (2010) 10185-10196
Space group: P b c n
Cell volume: 625.37
Cell parameters: 12.974; 5.0702; 9.5069; 90; 90; 90;  

COD ID: 1502677
CIF file Formula: - C24 H42 N2 O2 -
Comments: Corvis, Yohann; Négrier, Philippe; Lazerges, Mathieu; Massip, Stéphane; Léger, Jean-Michel; Espeau, Philippe Lidocaine/L-menthol binary system: cocrystallization versus solid-state immiscibility. The journal of physical chemistry. B 114(16) (2010) 5420-5426
Space group: P 21 21 21
Cell volume: 2495.3
Cell parameters: 8.4016; 13.4207; 22.13; 90; 90; 90;  

COD ID: 1502678
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 881.89
Cell parameters: 8.4011; 10.7176; 11.4368; 67.813; 83.709; 67.757;  

COD ID: 1502679
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 872.67
Cell parameters: 8.4065; 10.7888; 11.3346; 66.999; 86.542; 67.967;  

COD ID: 1502680
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 887.73
Cell parameters: 8.4124; 10.7275; 11.4652; 67.875; 84.032; 67.981;  

COD ID: 1502681
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 878.61
Cell parameters: 8.4248; 10.8144; 11.364; 66.894; 86.649; 68.06;  

COD ID: 1502682
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 866.65
Cell parameters: 8.4113; 10.8816; 11.4046; 65.404; 86.157; 66.822;  

COD ID: 1502683
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 860.25
Cell parameters: 8.3944; 10.8552; 11.3656; 65.502; 86.065; 66.745;  

COD ID: 1502684
CIF file Formula: - C30 H21 Au Cl4 O2 -
Comments: Hwang, In-Chul; Heo, Sung Woo; Singh, N. Jiten; Lee, Jung Woo; Chun, Young; Baek, Seung Bin; Jin, Kyeong Sik; Ree, Moonhor; Lee, Hee Cheon; Kim, Seung Bin; Kim, Kwang S. Self-assembled thermally highly stable 1-dimensional proton arrays. The journal of physical chemistry. B 114(21) (2010) 7216-7221
Space group: P -1
Cell volume: 1290.32
Cell parameters: 7.5854; 10.1921; 17.4297; 100.583; 90.868; 102.642;  

COD ID: 1502685
CIF file Formula: - C110 H76 Cl4 Cu F6 N4 P -
Comments: Lockard, Jenny V.; Kabehie, Sanaz; Zink, Jeffrey I.; Smolentsev, Grigory; Soldatov, Alexander; Chen, Lin X. Influence of ligand substitution on excited state structural dynamics in Cu(I) bisphenanthroline complexes. The journal of physical chemistry. B 114(45) (2010) 14521-14527
Space group: C 1 2/c 1
Cell volume: 10114.5
Cell parameters: 24.538; 28.186; 18.9595; 90; 129.526; 90;  

COD ID: 1502686
CIF file Formula: - C10 H16 F12 N4 P2 -
Comments: Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W. Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts. The journal of physical chemistry. B 114(21) (2010) 7312-7319
Space group: C 1 2/c 1
Cell volume: 1745.8
Cell parameters: 22.186; 6.4852; 14.4065; 90; 122.621; 90;  

COD ID: 1502687
CIF file Formula: - C16 H28 F12 N4 P2 -
Comments: Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W. Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts. The journal of physical chemistry. B 114(21) (2010) 7312-7319
Space group: P -1
Cell volume: 605.07
Cell parameters: 6.5214; 6.9156; 13.8874; 97.336; 97.674; 99.448;  

COD ID: 1502688
CIF file Formula: - C8 Cr D4 O5 -
Comments: Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J. Hydrogen in the Metal−Organic Framework Cr MIL-53 The Journal of Physical Chemistry C 114(23) (2010) 10648
Space group: I m c m
Cell volume: 1509.5
Cell parameters: 16.772; 13.145; 6.847; 90; 90; 90;  

COD ID: 1502689
CIF file Formula: - Al -
Comments: Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J. Hydrogen in the Metal−Organic Framework Cr MIL-53 The Journal of Physical Chemistry C 114(23) (2010) 10648
Space group: F m -3 m
Cell volume: 65.641
Cell parameters: 4.0339; 4.0339; 4.0339; 90; 90; 90;  

COD ID: 1502690
CIF file Formula: - O2.06 Si -
Comments: Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion The Journal of Physical Chemistry C 114(26) (2010) 11650
Space group: C 1 2/m 1
Cell volume: 1879.94
Cell parameters: 18.6386; 13.49476; 7.63047; 90; 101.616; 90;  

COD ID: 1502691
CIF file Formula: - O2.27 Si -
Comments: Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion The Journal of Physical Chemistry C 114(26) (2010) 11650
Space group: C 1 2/m 1
Cell volume: 1872.11
Cell parameters: 18.60462; 13.49472; 7.60745; 90; 101.425; 90;  

COD ID: 1502692
CIF file Formula: - C126 H66 N8 Zn -
Comments: Yamada, Hiroko; Ohkubo, Kei; Kuzuhara, Daiki; Takahashi, Tetsuro; Sandanayaka, Atula S. D.; Okujima, Tetsuo; Ohara, Keishi; Ito, Osamu; Uno, Hidemitsu; Ono, Noboru; Fukuzumi, Shunichi Synthesis, crystal structure, and photodynamics of π-expanded porphyrin-fullerene dyads synthesized by Diels-Alder reaction. The journal of physical chemistry. B 114(45) (2010) 14717-14728
Space group: P -1
Cell volume: 4042.63
Cell parameters: 13.8831; 17.7009; 18.0031; 97.4088; 106.035; 103.607;  

COD ID: 1502693
CIF file Formula: - C27 H33 F6 N3 O13 P Ru3 -
Comments: Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P. Electronic structural effects in self-exchange reactions. The journal of physical chemistry. B 114(45) (2010) 14729-14734
Space group: P 1 21/n 1
Cell volume: 3725.1
Cell parameters: 21.33; 7.7725; 22.864; 90; 100.666; 90;  

COD ID: 1502694
CIF file Formula: - C34 H35 Cl9 N2 O14 Ru3 -
Comments: Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P. Electronic structural effects in self-exchange reactions. The journal of physical chemistry. B 114(45) (2010) 14729-14734
Space group: P 1 21/n 1
Cell volume: 4792
Cell parameters: 14.657; 18.3; 17.958; 90; 95.826; 90;  

COD ID: 1502695
CIF file Formula: - C24 H36 O8 -
Comments: Balomenou, Ioanna; Kaloudi-Chantzea, Antonia; Bokias, Georgios; Kallitsis, Joannis K.; Raptopoulou, Catherine P.; Terzis, Aris; Pistolis, George Medium effect on the geometric isomerism of a centrosymmetrically disubstituted naphthalene derivative with flexible methoxytriethylene glycol chains. The journal of physical chemistry. B 114(24) (2010) 8181-8190
Space group: P 1 21/a 1
Cell volume: 1205.93
Cell parameters: 8.6041; 7.8833; 18.1199; 90; 101.13; 90;  

COD ID: 1502696
CIF file Formula: - C16 H12 Br N3 S -
Comments: Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C 114(35) (2010) 15109
Space group: P -1
Cell volume: 725.5
Cell parameters: 7.012; 8.204; 13.839; 99.83; 104.43; 103.92;  

COD ID: 1502697
CIF file Formula: - C24 H18 N6 S -
Comments: Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C 114(35) (2010) 15109
Space group: I b a 2
Cell volume: 4099
Cell parameters: 20.712; 24.812; 7.977; 90; 90; 90;  

COD ID: 1502698
CIF file Formula: - C21 H22 N4 S -
Comments: Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C 114(35) (2010) 15109
Space group: P -1
Cell volume: 928.6
Cell parameters: 7.796; 11.103; 11.989; 116.03; 94.517; 90.441;  

COD ID: 1502699
CIF file Formula: - C16 H13 N3 S -
Comments: Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C 114(35) (2010) 15109
Space group: P 1 21/c 1
Cell volume: 1344
Cell parameters: 9.245; 7.1205; 20.631; 90; 98.268; 90;  

COD ID: 1502700
CIF file Formula: - C9 H15 Li2 O6 Tl -
Comments: Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B 114(31) (2010) 10075-10085
Space group: P 21 21 21
Cell volume: 1343.5
Cell parameters: 4.909; 11.892; 23.014; 90; 90; 90;  

COD ID: 1502701
CIF file Formula: - C3 H5 O2 Tl -
Comments: Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B 114(31) (2010) 10075-10085
Space group: P c a 21
Cell volume: 1633.1
Cell parameters: 7.302; 10.636; 21.028; 90; 90; 90;  

COD ID: 1502702
CIF file Formula: - C15 Li2 O6 Tl -
Comments: Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B 114(31) (2010) 10075-10085
Space group: P 1 21/c 1
Cell volume: 2002.1
Cell parameters: 4.92085; 12.03031; 33.8289; 90; 91.3425; 90;  

COD ID: 1502703
CIF file Formula: - F N3 O2 S -
Comments: Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3). The journal of physical chemistry. A 114(28) (2010) 7624-7630
Space group: C 1 c 1
Cell volume: 405.27
Cell parameters: 7.0017; 13.5124; 5.017; 90; 121.37; 90;  

COD ID: 1502704
CIF file Formula: - C F3 N3 O2 S -
Comments: Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3). The journal of physical chemistry. A 114(28) (2010) 7624-7630
Space group: P 1 21/c 1
Cell volume: 579.99
Cell parameters: 5.0666; 17.0136; 7.0041; 90; 106.13; 90;  

COD ID: 1502705
CIF file Formula: - C23 H28 N2 -
Comments: Cruz, A. J.; Siam, K.; Moore, C.; Islam, M.; Rillema, D. P. Dicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical properties. The journal of physical chemistry. A 114(25) (2010) 6766-6775
Space group: P 1 21/n 1
Cell volume: 2064.5
Cell parameters: 10.296; 11.5493; 17.6364; 90; 100.126; 90;  

COD ID: 1502706
CIF file Formula: - C27 H32 N2 -
Comments: Cruz, A. J.; Siam, K.; Moore, C.; Islam, M.; Rillema, D. P. Dicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical properties. The journal of physical chemistry. A 114(25) (2010) 6766-6775
Space group: P -1
Cell volume: 1160.61
Cell parameters: 6.8351; 7.4409; 24.397; 89.25; 85.685; 69.736;  

COD ID: 1502707
CIF file Formula: - C16 H100 Cl N O32 -
Comments: Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B 114(36) (2010) 11838-11846
Space group: P 42/m
Cell volume: 6909.5
Cell parameters: 23.5711; 23.5711; 12.4361; 90; 90; 90;  

COD ID: 1502708
CIF file Formula: - C16 H100 Cl N O32 -
Comments: Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B 114(36) (2010) 11838-11846
Space group: P 42/m
Cell volume: 6903.9
Cell parameters: 23.5818; 23.5818; 12.4148; 90; 90; 90;  

COD ID: 1502709
CIF file Formula: - C16 H96 Cl N O30 -
Comments: Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B 114(36) (2010) 11838-11846
Space group: P 42/m
Cell volume: 6908.9
Cell parameters: 23.5211; 23.5211; 12.488; 90; 90; 90;  

COD ID: 1502710
CIF file Formula: - C16 H96 Cl N O30 -
Comments: Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B 114(36) (2010) 11838-11846
Space group: P 42/m
Cell volume: 6912
Cell parameters: 23.488; 23.488; 12.529; 90; 90; 90;  

COD ID: 1502711
CIF file Formula: - C134 H56 Gd3 N5 Ni -
Comments: Chaur, Manuel N.; Aparicio-Anglès, Xavier; Mercado, Brandon Q.; Elliott, Bevan; Rodríguez-Fortea, Antonio; Clotet, Anna; Olmstead, Marilyn M.; Balch, Alan L.; Poblet, Josep M.; Echegoyen, Luis Structural and Electrochemical Property Correlations of Metallic Nitride Endohedral Metallofullerenes The Journal of Physical Chemistry C 114(30) (2010) 13003
Space group: C 1 2/m 1
Cell volume: 7771.9
Cell parameters: 25.2056; 15.4634; 19.9594; 90; 92.52; 90;  

COD ID: 1502712
CIF file Formula: - C50 H24 Cl4 Mn N8 -
Comments: Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S. Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−† The Journal of Physical Chemistry C 114(48) (2010) 20614
Space group: C 1 2/c 1
Cell volume: 4507.5
Cell parameters: 19.4543; 10.1426; 22.8662; 90; 92.539; 90;  

COD ID: 1502713
CIF file Formula: - C50 H24 Cl4 Mn N8 -
Comments: Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S. Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−† The Journal of Physical Chemistry C 114(48) (2010) 20614
Space group: P 1 21/n 1
Cell volume: 2268.5
Cell parameters: 9.5196; 10.7091; 22.28; 90; 92.8788; 90;  

COD ID: 1502714
CIF file Formula: - C12 O12 Ru3 -
Comments: Gervasio, Giuliana; Marabello, Domenica; Bianchi, Riccardo; Forni, Alessandra Detection of weak intramolecular interactions in Ru(3)(CO)(12) by topological analysis of charge density distributions. The journal of physical chemistry. A 114(34) (2010) 9368-9373
Space group: P 1 21/n 1
Cell volume: 1653.79
Cell parameters: 7.9959; 14.6373; 14.3746; 90; 100.578; 90;  

COD ID: 1502715
CIF file Formula: - C54 H70 Cl4 Cu2 N12 O23 -
Comments: Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B 114(36) (2010) 11942-11948
Space group: C 1 2 1
Cell volume: 6436
Cell parameters: 35.166; 8.308; 22.479; 90; 101.477; 90;  

COD ID: 1502716
CIF file Formula: - C32 H38 Cl4 Cu2 N6 O12 -
Comments: Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B 114(36) (2010) 11942-11948
Space group: P 1 21/c 1
Cell volume: 1918.11
Cell parameters: 8.0644; 19.3905; 12.439; 90; 99.56; 90;  

COD ID: 1502717
CIF file Formula: - C33 H42 Cl4 Cu2 N6 O13 -
Comments: Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B 114(36) (2010) 11942-11948
Space group: P 1 21/c 1
Cell volume: 4119.1
Cell parameters: 7.9762; 19.5479; 26.4798; 90; 93.901; 90;  

COD ID: 1502718
CIF file Formula: - C98.7 H140 O96.95 -
Comments: Guerrero-Martínez, Andrés; Avila, David; Martínez-Casado, Francisco J; Ripmeester, John A.; Enright, Gary D.; De Cola, Luisa; Tardajos, Gloria Solid crystal network of self-assembled cyclodextrin and nonionic surfactant pseudorotaxanes. The journal of physical chemistry. B 114(35) (2010) 11489-11495
Space group: P 1
Cell volume: 3380.1
Cell parameters: 15.419; 15.464; 15.612; 102.72; 102.012; 104.309;  

COD ID: 1502719
CIF file Formula: - C107 H47 Br -
Comments: Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property The Journal of Physical Chemistry C 114(41) (2010) 17741
Space group: P 1 21/a 1
Cell volume: 6334.3
Cell parameters: 20.2439; 14.5966; 21.7947; 90; 100.403; 90;  

COD ID: 1502720
CIF file Formula: - C266 H120 O2 S4 -
Comments: Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property The Journal of Physical Chemistry C 114(41) (2010) 17741
Space group: P -1
Cell volume: 8228.22
Cell parameters: 17.009; 22.21; 22.825; 99.68; 104.3; 90.07;  

COD ID: 1502721
CIF file Formula: - C4 H9 Li2 Mo N O9 -
Comments: Deb, Dibakar; Giri, Santanab; Chattaraj, Pratim K.; Bhattacharjee, Manish Synthesis and structure of a 3D porous network containing aromatic 1D chains of Li(6) rings: experimental and computational studies. The journal of physical chemistry. A 114(40) (2010) 10871-10877
Space group: C 1 2/m 1
Cell volume: 960.82
Cell parameters: 13.0031; 14.4347; 5.1506; 90; 96.347; 90;  

COD ID: 1502722
CIF file Formula: - C7 H8 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: C 1 2/c 1
Cell volume: 2752.22
Cell parameters: 19.7305; 7.5421; 19.521; 90; 108.659; 90;  

COD ID: 1502723
CIF file Formula: - C8 H10 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P -1
Cell volume: 798.66
Cell parameters: 7.76; 8.5323; 12.8473; 86.484; 86.143; 70.363;  

COD ID: 1502724
CIF file Formula: - C8 H10 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P c c n
Cell volume: 1570.4
Cell parameters: 12.7255; 15.1322; 8.1552; 90; 90; 90;  

COD ID: 1502725
CIF file Formula: - C9 H12 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P 1 21/c 1
Cell volume: 1847.46
Cell parameters: 16.3623; 9.5058; 12.8922; 90; 112.879; 90;  

COD ID: 1502726
CIF file Formula: - C9 H12 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: C 1 2/c 1
Cell volume: 1814.8
Cell parameters: 15.0714; 9.4669; 12.7208; 90; 90.861; 90;  

COD ID: 1502727
CIF file Formula: - C10 H14 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: R 3 c :H
Cell volume: 4614.43
Cell parameters: 23.5657; 23.5657; 9.5946; 90; 90; 120;  

COD ID: 1502728
CIF file Formula: - C10 H14 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P 1 21/n 1
Cell volume: 3041.73
Cell parameters: 9.8731; 10.0067; 30.9126; 90; 95.154; 90;  

COD ID: 1502729
CIF file Formula: - C11 H16 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P b c a
Cell volume: 2219.09
Cell parameters: 11.0135; 10.1491; 19.8528; 90; 90; 90;  

COD ID: 1502730
CIF file Formula: - C16 H20 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P c c n
Cell volume: 2704.41
Cell parameters: 9.8846; 27.5538; 9.9296; 90; 90; 90;  

COD ID: 1502731
CIF file Formula: - C14 H18 N4 O10 S -
Comments: Stevens, Joanna S.; Byard, Stephen J.; Muryn, Christopher A.; Schroeder, Sven L. M. Identification of protonation state by XPS, solid-state NMR, and DFT: characterization of the nature of a new theophylline complex by experimental and computational methods. The journal of physical chemistry. B 114(44) (2010) 13961-13969
Space group: P 1 21/c 1
Cell volume: 1806
Cell parameters: 9.2829; 6.2367; 31.336; 90; 95.449; 90;  

COD ID: 1502732
CIF file Formula: - C21 H17 N O -
Comments: Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents. The journal of physical chemistry. A 114(45) (2010) 12028-12041
Space group: P 1 21/c 1
Cell volume: 1552.1
Cell parameters: 8.966; 18.422; 10.4846; 90; 116.327; 90;  

COD ID: 1502733
CIF file Formula: - C38.5 H38.75 F12 N3.25 O0.5 P2 -
Comments: Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents. The journal of physical chemistry. A 114(45) (2010) 12028-12041
Space group: P -1
Cell volume: 2150.1
Cell parameters: 8.0652; 13.81; 20.684; 106.539; 99.424; 96.092;  

COD ID: 1502734
CIF file Formula: - C44 H30 -
Comments: Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride The Journal of Physical Chemistry C 114(43) (2010) 18702
Space group: R -3 :H
Cell volume: 14827.4
Cell parameters: 39.1553; 39.1553; 11.16743; 90; 90; 120;  

COD ID: 1502735
CIF file Formula: - C60 H42 -
Comments: Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride The Journal of Physical Chemistry C 114(43) (2010) 18702
Space group: P 1 21/n 1
Cell volume: 4236.3
Cell parameters: 10.5356; 9.7161; 41.525; 90; 94.721; 90;  

COD ID: 1502736
CIF file Formula: - C24 H25 N O2 -
Comments: Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J. Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases. The journal of physical chemistry. A 114(47) (2010) 12522-12530
Space group: P 21 21 21
Cell volume: 1993.6
Cell parameters: 6.1987; 16.054; 20.033; 90; 90; 90;  

COD ID: 1502737
CIF file Formula: - C24 H25 N O3 -
Comments: Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J. Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases. The journal of physical chemistry. A 114(47) (2010) 12522-12530
Space group: P 1 21 1
Cell volume: 1011.3
Cell parameters: 11.414; 8.499; 11.529; 90; 115.28; 90;  

COD ID: 1502738
CIF file Formula: - C21 H24 F6 N3 O3 P S -
Comments: Hrobárik, Peter; Sigmundová, Ivica; Zahradník, Pavol; Kasák, Peter; Arion, Vladimir; Franz, Edith; Clays, Koen Molecular Engineering of Benzothiazolium Salts with Large Quadratic Hyperpolarizabilities: Can Auxiliary Electron-Withdrawing Groups Enhance Nonlinear Optical Responses? The Journal of Physical Chemistry C 114(50) (2010) 22289
Space group: P -1
Cell volume: 1159.42
Cell parameters: 9.4565; 11.8283; 11.8421; 73.341; 67.179; 76.833;  

COD ID: 1502739
CIF file Formula: - C12 H4 Fe3 O11 -
Comments: Farrugia, Louis J.; Senn, Hans Martin Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. The journal of physical chemistry. A 114(51) (2010) 13418-13433
Space group: P 1 21/c 1
Cell volume: 1640.61
Cell parameters: 7.4672; 16.4731; 13.7414; 90; 103.927; 90;  

COD ID: 1502740
CIF file Formula: - C12 H4 Fe3 O11 -
Comments: Farrugia, Louis J.; Senn, Hans Martin Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. The journal of physical chemistry. A 114(51) (2010) 13418-13433
Space group: P 1 21/c 1
Cell volume: 1640.61
Cell parameters: 7.4672; 16.4731; 13.7414; 90; 103.927; 90;  

COD ID: 1502741
CIF file Formula: - C10 H8 Cl N O -
Comments: Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A 114(51) (2010) 13434-13441
Space group: P -1
Cell volume: 414
Cell parameters: 7.088; 7.22; 9.14; 92.55; 106.95; 110.32;  

COD ID: 1502742
CIF file Formula: - C5 H4 Cl N O -
Comments: Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A 114(51) (2010) 13434-13441
Space group: F d d 2
Cell volume: 2173.08
Cell parameters: 23.1021; 25.1758; 3.7363; 90; 90; 90;  

COD ID: 1502743
CIF file Formula: - C11 H9 Cl2 N -
Comments: Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A 114(51) (2010) 13434-13441
Space group: P 1 21/c 1
Cell volume: 1012.6
Cell parameters: 14.98; 4.5662; 14.858; 90; 94.87; 90;  

COD ID: 1502744
CIF file Formula: - C20 H14 O -
Comments: Schwerin, Andrew F.; Johnson, Justin C.; Smith, Millicent B.; Sreearunothai, Paiboon; Popović, Duska; Cerný, Jirí; Havlas, Zdenek; Paci, Irina; Akdag, Akin; MacLeod, Matthew K.; Chen, Xudong; David, Donald E.; Ratner, Mark A.; Miller, John R.; Nozik, Arthur J.; Michl, Josef Toward designed singlet fission: electronic states and photophysics of 1,3-diphenylisobenzofuran. The journal of physical chemistry. A 114(3) (2010) 1457-1473
Space group: P 1 2/c 1
Cell volume: 1374.51
Cell parameters: 12.8954; 5.5486; 20.0322; 90; 106.472; 90;  

COD ID: 1502745
CIF file Formula: - C18 H14 N2 O4 -
Comments: Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals. The journal of physical chemistry. A 114(1) (2010) 172-182
Space group: P 1 21/n 1
Cell volume: 1520.7
Cell parameters: 19.3408; 3.8902; 20.212; 90; 90.594; 90;  

COD ID: 1502746
CIF file Formula: - C18 H14 N2 O4 -
Comments: Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals. The journal of physical chemistry. A 114(1) (2010) 172-182
Space group: P -1
Cell volume: 758.1
Cell parameters: 6.3063; 10.8492; 12.374; 107.847; 98.976; 103.827;  

COD ID: 1502747
CIF file Formula: - C15 H15 N3 O4 -
Comments: Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state. The journal of physical chemistry. B 114(1) (2010) 321-329
Space group: P -1
Cell volume: 722.127
Cell parameters: 7.0295; 8.7268; 12.5523; 73.754; 81.99; 78.751;  

COD ID: 1502748
CIF file Formula: - C18 H17 N3 O2 -
Comments: Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state. The journal of physical chemistry. B 114(1) (2010) 321-329
Space group: P 1 21/c 1
Cell volume: 1547.83
Cell parameters: 12.7765; 18.7383; 6.5565; 90; 99.574; 90;  

COD ID: 1502749
CIF file Formula: - C24 H22 N2 O3 -
Comments: Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state. The journal of physical chemistry. B 114(1) (2010) 321-329
Space group: P 1 21/c 1
Cell volume: 2058.3
Cell parameters: 13.345; 14.802; 10.621; 90; 101.17; 90;  

COD ID: 1502750
CIF file Formula: - C18 H14 F6 N2 O7 S6 -
Comments: Zhu, Qin-Yu; Huo, Li-Bin; Qin, Yu-Rong; Zhang, Ya-Ping; Lu, Zhe-Jun; Wang, Jin-Po; Dai, Jie Triadic intramolecular charge transfer compound of tetrathiafulvalene exhibiting multicolor solvatochromism. The journal of physical chemistry. B 114(1) (2010) 361-367
Space group: C 1 2/c 1
Cell volume: 2533.5
Cell parameters: 21.027; 5.4802; 23.594; 90; 111.274; 90;  

COD ID: 1502751
CIF file Formula: - C18 H21 N3 O4 -
Comments: Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M. Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques The Journal of Physical Chemistry C 114(1) (2010) 580
Space group: P -1
Cell volume: 833.92
Cell parameters: 8.04668; 9.35578; 11.91507; 102.436; 103.177; 98.6481;  

COD ID: 1502752
CIF file Formula: - C18 H21 N3 O4 -
Comments: Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M. Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques The Journal of Physical Chemistry C 114(1) (2010) 580
Space group: C 1 2/c 1
Cell volume: 3408.4
Cell parameters: 14.0496; 11.80399; 20.9323; 90; 100.936; 90;  

COD ID: 1502753
CIF file Formula: - C60 H55 N3 O2 S2 -
Comments: Balaji, Ganapathy; Parameswaran, Manoj; Jin, Tan Mein; Vijila, Chellappan; Furong, Zhu; Valiyaveettil, Suresh Synthesis and Hole-Transporting Properties of Highly FluorescentN-Aryl Dithieno[3,2-b:2′,3′-d]pyrrole-Based Oligomers The Journal of Physical Chemistry C 114(10) (2010) 4628
Space group: P -1
Cell volume: 2457
Cell parameters: 12.5499; 14.0994; 14.8676; 88.659; 71.166; 80.833;  

COD ID: 1502754
CIF file Formula: - C8 H2 I2 S3 -
Comments: Sánchez-Carrera, Roel S; Odom, Susan A.; Kinnibrugh, Tiffany L.; Sajoto, Tissa; Kim, Eung-Gun; Timofeeva, Tatiana V.; Barlow, Stephen; Coropceanu, Veaceslav; Marder, Seth R.; Brédas, Jean-Luc Electronic properties of the 2,6-diiododithieno[3,2-b:2',3'-d]thiophene molecule and crystal: a joint experimental and theoretical study. The journal of physical chemistry. B 114(2) (2010) 749-755
Space group: P 1 21/n 1
Cell volume: 1081.9
Cell parameters: 13.223; 4.161; 19.785; 90; 96.339; 90;  

COD ID: 1502755
CIF file Formula: - C22 H14 N4 O2 -
Comments: Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex? The journal of physical chemistry. B 114(2) (2010) 756-768
Space group: P -1
Cell volume: 935.09
Cell parameters: 8.7992; 8.8626; 13.2711; 101.683; 91.357; 111.848;  

COD ID: 1502756
CIF file Formula: - C22 H14 N4 O2 -
Comments: Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex? The journal of physical chemistry. B 114(2) (2010) 756-768
Space group: P 21 21 21
Cell volume: 1776.24
Cell parameters: 5.404; 16.068; 20.4562; 90; 90; 90;  

COD ID: 1502757
CIF file Formula: - C15 H10 O2 -
Comments: Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation The Journal of Physical Chemistry C 114(9) (2010) 4142
Space group: P 1 21/n 1
Cell volume: 1059.2
Cell parameters: 3.89; 9.37; 29.06; 90; 90.64; 90;  

COD ID: 1502758
CIF file Formula: - C15 H10 O2 -
Comments: Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation The Journal of Physical Chemistry C 114(9) (2010) 4142
Space group: P 1 21/n 1
Cell volume: 1062.2
Cell parameters: 3.9; 9.37; 29.07; 90; 90.64; 90;  

COD ID: 1502759
CIF file Formula: - C15 H16 O2 S -
Comments: Usman, Anwar; Asahi, Tsuyoshi; Sugiyama, Teruki; Masuhara, Hiroshi; Tohnai, Norimitsu; Miyata, Mikiji Photochemical reaction of p-hydroxycinnamic-thiophenyl ester in the microcrystalline state. The journal of physical chemistry. B 114(45) (2010) 14233-14240
Space group: P 1 21/n 1
Cell volume: 2558.47
Cell parameters: 16.5638; 7.514; 20.8421; 90; 99.4965; 90;  

COD ID: 1502760
CIF file Formula: - C47 H49 N3 -
Comments: Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A 114(2) (2010) 884-890
Space group: P b c a
Cell volume: 8073
Cell parameters: 11.408; 25.189; 28.093; 90; 90; 90;  

COD ID: 1502761
CIF file Formula: - C61 H61 N3 -
Comments: Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A 114(2) (2010) 884-890
Space group: P -1
Cell volume: 2377.3
Cell parameters: 11.4828; 12.8037; 17.557; 103.938; 103.837; 98.1698;  

COD ID: 1502762
CIF file Formula: - C61 H61 N3 O -
Comments: Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A 114(2) (2010) 884-890
Space group: P -1
Cell volume: 4825
Cell parameters: 13.967; 17.661; 20.091; 95.541; 99.166; 96.727;  

COD ID: 1502763
CIF file Formula: - C22 H23 Cl2 N3 O3 -
Comments: Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N. Jiten; Hwang, In-Chul; Kim, Kwang S. Intriguing pi(+)-pi Interaction in crystal packing. The journal of physical chemistry. B 114(12) (2010) 4166-4170
Space group: P -1
Cell volume: 1081.7
Cell parameters: 8.239; 11.075; 13.52; 103.205; 106.017; 105.297;  

COD ID: 1502764
CIF file Formula: - C22 H23 Br2 N3 O3 -
Comments: Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N. Jiten; Hwang, In-Chul; Kim, Kwang S. Intriguing pi(+)-pi Interaction in crystal packing. The journal of physical chemistry. B 114(12) (2010) 4166-4170
Space group: P -1
Cell volume: 1122.6
Cell parameters: 8.2416; 11.2464; 13.9496; 104.279; 106.169; 105.466;  

COD ID: 1502765
CIF file Formula: - C40 H28 O2 -
Comments: Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu Aggregation emission properties of oligomers based on tetraphenylethylene. The journal of physical chemistry. B 114(18) (2010) 5983-5988
Space group: C 1 2/c 1
Cell volume: 2911.6
Cell parameters: 16.698; 10.5516; 16.706; 90; 98.437; 90;  

COD ID: 1502766
CIF file Formula: - C54 H36 O4 -
Comments: Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu Aggregation emission properties of oligomers based on tetraphenylethylene. The journal of physical chemistry. B 114(18) (2010) 5983-5988
Space group: P -1
Cell volume: 2006.26
Cell parameters: 10.9819; 12.2293; 15.9624; 78.216; 85.799; 72.961;  

COD ID: 1502767
CIF file Formula: - C34 H30 N4 O -
Comments: Xu, Jialiang; Zheng, Haiyan; Liu, Huibiao; Zhou, Chunjie; Zhao, Yingjie; Li, Yongjun; Li, Yuliang Crystal Hierarchical Supramolecular Architectures from 1-D Precursor Single-Crystal Seeds The Journal of Physical Chemistry C 114(7) (2010) 2925
Space group: P 1 21/n 1
Cell volume: 2634
Cell parameters: 18.382; 5.7303; 25.034; 90; 92.7; 90;  

COD ID: 1502768
CIF file Formula: - C26 H36 Cl2 Mg N8 O18 -
Comments: Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata; Estarellas, Carolina; Frontera, Antonio Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions. The journal of physical chemistry. B 114(15) (2010) 4998-5009
Space group: P -1
Cell volume: 883.52
Cell parameters: 7.146; 11.1812; 11.602; 88.373; 81.837; 74.342;  

COD ID: 1502769
CIF file Formula: - C18 H34 Mg N4 O14 -
Comments: Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata; Estarellas, Carolina; Frontera, Antonio Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions. The journal of physical chemistry. B 114(15) (2010) 4998-5009
Space group: P -1
Cell volume: 654.9
Cell parameters: 7.534; 9.052; 10.428; 93.37; 93.118; 112.237;  

COD ID: 1502770
CIF file Formula: - C23 H17 I2 N O2 S2 -
Comments: Song, Changsik; Walker, D. Barney; Swager, Timothy M. Conducting Thiophene-Annulated Azepine Polymers Macromolecules 43(12) (2010) 5233
Space group: P n a 21
Cell volume: 2238.86
Cell parameters: 8.628; 14.8751; 17.4444; 90; 90; 90;  

COD ID: 1502771
CIF file Formula: - C25 H18 B N O -
Comments: Tokoro, Yuichiro; Nagai, Atsushi; Chujo, Yoshiki Synthesis of π-Conjugated Polymers Containing Organoboron Benzo[h]quinolate in the Main Chain Macromolecules 43(14) (2010) 6229
Space group: P -1
Cell volume: 922.1
Cell parameters: 8.9304; 10.2803; 10.9208; 107.466; 90.523; 104.484;  

COD ID: 1502772
CIF file Formula: - C26 H20 N2 O S2 -
Comments: Häussler, Matthias; Lok, Y. Phei; Chen, Ming; Jasieniak, Jacek; Adhikari, Raju; King, Simon P.; Haque, Saif A.; Forsyth, Craig M.; Winzenberg, Kevin; Watkins, Scott E.; Rizzardo, Ezio; Wilson, Gerard J. Benzothiadiazole-Containing Pendant Polymers Prepared by RAFT and Their Electro-Optical Properties Macromolecules 43(17) (2010) 7101
Space group: P 1 21/c 1
Cell volume: 2053.89
Cell parameters: 17.0896; 7.5023; 16.288; 90; 100.417; 90;  

COD ID: 1502773
CIF file Formula: - C30 H53 Mg N3 O2 Si2 -
Comments: Wang, Liying; Ma, Haiyan Highly Active Magnesium Initiators for Ring-Opening Polymerization ofrac-Lactide Macromolecules 43(16) (2010) 6535
Space group: P 21 21 21
Cell volume: 3387.5
Cell parameters: 13.032; 14.817; 17.543; 90; 90; 90;  

COD ID: 1502774
CIF file Formula: - C32 H52 N2 Zr -
Comments: Kuhlman, Roger L.; Klosin, Jerzy Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection Macromolecules 43(19) (2010) 7903
Space group: P -1
Cell volume: 3170.9
Cell parameters: 9.1654; 17.1904; 21.4248; 106.018; 97.63; 97.011;  

COD ID: 1502775
CIF file Formula: - C32 H52 Hf N2 -
Comments: Kuhlman, Roger L.; Klosin, Jerzy Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection Macromolecules 43(19) (2010) 7903
Space group: P -1
Cell volume: 3154.9
Cell parameters: 9.1512; 17.1942; 21.2757; 105.558; 97.417; 96.995;  

COD ID: 1502776
CIF file Formula: - C28 H52 Hf N2 -
Comments: Kuhlman, Roger L.; Klosin, Jerzy Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection Macromolecules 43(19) (2010) 7903
Space group: P 1 21/c 1
Cell volume: 3026
Cell parameters: 17.7939; 9.7642; 17.6714; 90; 99.741; 90;  

COD ID: 1502777
CIF file Formula: - C57 H116 O40 -
Comments: Nishiyama, Yoshiharu; Mazeau, Karim; Morin, Morgane; Cardoso, Mateus B.; Chanzy, Henri; Putaux, Jean-Luc Molecular and Crystal Structure of 7-Fold V-Amylose Complexed with 2-Propanol Macromolecules 43(20) (2010) 8628
Space group: P 21 21 21
Cell volume: 6639
Cell parameters: 28.29; 29.3; 8.01; 90; 90; 90;  

COD ID: 1502778
CIF file Formula: - C20 H12 Br2 N2 Ni O2 -
Comments: Fukumoto, Hiroki; Yamane, Kazuto; Kase, Yumiko; Yamamoto, Takakazu π-Conjugated Poly(aryleneethynylene)s Consisting of Salophen and Ni−Salophen Units in the π-Conjugated Main Chain: Preparation and Chemical Properties Macromolecules 43(24) (2010) 10366
Space group: P b c a
Cell volume: 3574.6
Cell parameters: 10.084; 14.552; 24.36; 90; 90; 90;  

COD ID: 1502779
CIF file Formula: - C41 H39 Br Ir N3 -
Comments: Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects Macromolecules 43(20) (2010) 8479
Space group: P 1 21/c 1
Cell volume: 3601.7
Cell parameters: 11.081; 25.643; 12.99; 90; 102.64; 90;  

COD ID: 1502780
CIF file Formula: - C41 H39 Br Ir N3 -
Comments: Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects Macromolecules 43(20) (2010) 8479
Space group: C 1 c 1
Cell volume: 3433.7
Cell parameters: 11.597; 19.586; 15.383; 90; 100.67; 90;  

COD ID: 1502781
CIF file Formula: - C41 H38 Br2 Ir N3 -
Comments: Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects Macromolecules 43(20) (2010) 8479
Space group: P 1 21/c 1
Cell volume: 3572.1
Cell parameters: 11.015; 25.825; 12.846; 90; 102.17; 90;  

COD ID: 1502782
CIF file Formula: - C29 H17 B F2 I2 N2 -
Comments: Nagai, Atsushi; Chujo, Yoshiki Aromatic Ring-Fused BODIPY-Based Conjugated Polymers Exhibiting Narrow Near-Infrared Emission Bands Macromolecules 43(1) (2010) 193
Space group: P -1
Cell volume: 1228.8
Cell parameters: 7.4515; 11.6557; 15.1935; 110.611; 93.971; 92.562;  

COD ID: 1502783
CIF file Formula: - C50 H62 Si3 -
Comments: Liu, Jianzhao; Zhong, Yongchun; Lam, Jacky W. Y.; Lu, Ping; Hong, Yuning; Yu, Yong; Yue, Yanan; Faisal, Mahtab; Sung, Herman H. Y.; Williams, Ian D.; Wong, Kam Sing; Tang, Ben Zhong Hyperbranched Conjugated Polysiloles: Synthesis, Structure, Aggregation-Enhanced Emission, Multicolor Fluorescent Photopatterning, and Superamplified Detection of Explosives Macromolecules 43(11) (2010) 4921
Space group: P -1
Cell volume: 2375
Cell parameters: 12.4453; 13.3899; 16.7988; 107.042; 91.713; 115.539;  

COD ID: 1502784
CIF file Formula: - C78 H57 B Cl2 F20 N2 Ni O2 -
Comments: Wegner, Marcus M.; Ott, Anna K.; Rieger, Bernhard Gas Phase Polymerization of Ethylene with Supported α-Diimine Nickel(II) Catalysts Macromolecules 43(8) (2010) 3624
Space group: P -1
Cell volume: 3625.8
Cell parameters: 14.532; 16.824; 17.536; 64.33; 89.93; 71.81;  

COD ID: 1502785
CIF file Formula: - C49 H74 Co3 N4 O10 -
Comments: Kember, Michael R.; White, Andrew J. P.; Williams, Charlotte K. Highly Active Di- and Trimetallic Cobalt Catalysts for the Copolymerization of CHO and CO2at Atmospheric Pressure Macromolecules 43(5) (2010) 2291
Space group: P -1
Cell volume: 2592.12
Cell parameters: 10.0735; 13.7187; 19.7827; 77.02; 78.813; 80.483;  

COD ID: 1502786
CIF file Formula: - C49 H86 Co2 N4 O9 -
Comments: Kember, Michael R.; White, Andrew J. P.; Williams, Charlotte K. Highly Active Di- and Trimetallic Cobalt Catalysts for the Copolymerization of CHO and CO2at Atmospheric Pressure Macromolecules 43(5) (2010) 2291
Space group: C 1 2/c 1
Cell volume: 10464.8
Cell parameters: 40.1077; 11.9548; 27.7661; 90; 128.183; 90;  

COD ID: 1502787
CIF file Formula: - C32 H48 B2 Ge O4 -
Comments: Allard, Nicolas; Aïch, Réda Badrou; Gendron, David; Boudreault, Pierre-Luc T.; Tessier, Christian; Alem, Salima; Tse, Shing-Chi; Tao, Ye; Leclerc, Mario Germafluorenes: New Heterocycles for Plastic Electronics Macromolecules 43(5) (2010) 2328
Space group: P 1 21/c 1
Cell volume: 3229.4
Cell parameters: 15.597; 18.542; 11.201; 90; 94.484; 90;  

COD ID: 1502788
CIF file Formula: - C40 H64 B2 Ge O4 -
Comments: Allard, Nicolas; Aïch, Réda Badrou; Gendron, David; Boudreault, Pierre-Luc T.; Tessier, Christian; Alem, Salima; Tse, Shing-Chi; Tao, Ye; Leclerc, Mario Germafluorenes: New Heterocycles for Plastic Electronics Macromolecules 43(5) (2010) 2328
Space group: P 1 21/c 1
Cell volume: 4065
Cell parameters: 19.72; 19.029; 10.873; 90; 94.88; 90;  

COD ID: 1502789
CIF file Formula: - C79 H104 Cl4 O2 Si2 Ti2 -
Comments: Senda, Taichi; Hanaoka, Hidenori; Nakahara, Shinya; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi Rational Design of Silicon-Bridged Fluorenyl−Phenoxy Group 4 Metal Complexes as Catalysts for Producing High Molecular Weight Copolymers of Ethylene and 1-Hexene at Elevated Temperature Macromolecules 43(5) (2010) 2299
Space group: C 1 2/c 1
Cell volume: 7553
Cell parameters: 26.407; 14.346; 20.052; 90; 96.115; 90;  

COD ID: 1502790
CIF file Formula: - C34 H44 O Si -
Comments: Senda, Taichi; Hanaoka, Hidenori; Nakahara, Shinya; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi Rational Design of Silicon-Bridged Fluorenyl−Phenoxy Group 4 Metal Complexes as Catalysts for Producing High Molecular Weight Copolymers of Ethylene and 1-Hexene at Elevated Temperature Macromolecules 43(5) (2010) 2299
Space group: P -1
Cell volume: 1501.2
Cell parameters: 9.23; 10.5413; 15.742; 96.051; 97.568; 95.234;  

COD ID: 1502791
CIF file Formula: - C17 H18 O6 -
Comments: Chou, Tsung-Hsien; Chen, Jih-Jung; Lee, Shiow-Ju; Chiang, Michael Y.; Yang, Cheng-Wei; Chen, Ih-Sheng Cytotoxic flavonoids from the leaves of Cryptocarya chinensis. Journal of natural products 73(9) (2010) 1470-1475
Space group: P 1 21 1
Cell volume: 756.9
Cell parameters: 8.032; 8.278; 11.532; 90; 99.19; 90;  

COD ID: 1502792
CIF file Formula: - C15 H14 O5 -
Comments: Lin, Jie; Liu, Shuchun; Sun, Bingda; Niu, Shubin; Li, Erwei; Liu, Xingzhong; Che, Yongsheng Polyketides from the ascomycete fungus Leptosphaeria sp. Journal of natural products 73(5) (2010) 905-910
Space group: P 21 21 21
Cell volume: 1344.5
Cell parameters: 5.7411; 9.4947; 24.665; 90; 90; 90;  

COD ID: 1502793
CIF file Formula: - C20 H30 O3 -
Comments: Zou, Guo-An; Ding, Gang; Su, Zhi-Heng; Yang, Jun-Shan; Zhang, Hone-Wu; Peng, Chao-Zhong; Aisa, Haiji Akber; Zou, Zhong-Mei Lactonecembranoids from Croton laevigatus. Journal of natural products 73(4) (2010) 792-795
Space group: C 1 2/c 1
Cell volume: 3573.2
Cell parameters: 23.345; 10.44; 17.519; 90; 123.19; 90;  

COD ID: 1502794
CIF file Formula: - C30 H48 O13 -
Comments: Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching Nortriterpene lactones from the fruits of Schisandra arisanensis. Journal of natural products 73(7) (2010) 1228-1233
Space group: P 21 21 21
Cell volume: 3104.4
Cell parameters: 9.1827; 18.1165; 18.6612; 90; 90; 90;  

COD ID: 1502795
CIF file Formula: - C29 H36 O11 -
Comments: Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching Nortriterpene lactones from the fruits of Schisandra arisanensis. Journal of natural products 73(7) (2010) 1228-1233
Space group: P 1 21 1
Cell volume: 1364.34
Cell parameters: 8.797; 9.901; 15.9022; 90; 99.925; 90;  

COD ID: 1502796
CIF file Formula: - C20 H30 O2 -
Comments: Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G. Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea. Journal of natural products 73(5) (2010) 925-934
Space group: P 1 21 1
Cell volume: 1836.2
Cell parameters: 9.7774; 10.7185; 17.521; 90; 90.174; 90;  

COD ID: 1502797
CIF file Formula: - C20 H30 O2 -
Comments: Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G. Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea. Journal of natural products 73(5) (2010) 925-934
Space group: P 1 21 1
Cell volume: 904.3
Cell parameters: 8.2674; 8.6702; 12.79; 90; 99.451; 90;  

COD ID: 1502798
CIF file Formula: - C20 H30 O2 -
Comments: Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G. Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea. Journal of natural products 73(5) (2010) 925-934
Space group: P 21 21 2
Cell volume: 1837.5
Cell parameters: 11.1485; 21.716; 7.59; 90; 90; 90;  

COD ID: 1502799
CIF file Formula: - C22 H32 O4 -
Comments: Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G. Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea. Journal of natural products 73(5) (2010) 925-934
Space group: P 21 21 21
Cell volume: 2046.7
Cell parameters: 8.9941; 12.14; 18.745; 90; 90; 90;  

COD ID: 1502800
CIF file Formula: - C18 H20 N2 O8 S3 -
Comments: Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum. Journal of natural products 73(7) (2010) 1240-1249
Space group: P 1 21 1
Cell volume: 940.5
Cell parameters: 6.5869; 8.1866; 17.513; 90; 95.2; 90;  

COD ID: 1502801
CIF file Formula: - C19 H20 N2 O5 S2 -
Comments: Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum. Journal of natural products 73(7) (2010) 1240-1249
Space group: P 1 21 1
Cell volume: 902.1
Cell parameters: 10.823; 8.2414; 11.223; 90; 115.69; 90;  

COD ID: 1502802
CIF file Formula: - C20 H34 N2 O10 S2 -
Comments: Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum. Journal of natural products 73(7) (2010) 1240-1249
Space group: P 1 21 1
Cell volume: 1232.6
Cell parameters: 10.949; 8.7488; 13.036; 90; 99.22; 90;  

COD ID: 1502803
CIF file Formula: - C22 H29 N O4 -
Comments: Kumarihamy, Mallika; Fronczek, Frank R.; Ferreira, Daneel; Jacob, Melissa; Khan, Shabana I.; Nanayakkara, N. P. Dhammika Bioactive 1,4-dihydroxy-5-phenyl-2-pyridinone alkaloids from Septoria pistaciarum. Journal of natural products 73(7) (2010) 1250-1253
Space group: P 1 21 1
Cell volume: 4066.5
Cell parameters: 11.1427; 13.0004; 28.073; 90; 90.43; 90;  

COD ID: 1502804
CIF file Formula: - C17 H30 O4 -
Comments: Chokpaiboon, Supichar; Sommit, Damrong; Teerawatananond, Thapong; Muangsin, Nongnuj; Bunyapaiboonsri, Taridaporn; Pudhom, Khanitha Cytotoxic nor-chamigrane and chamigrane endoperoxides from a basidiomycetous fungus. Journal of natural products 73(5) (2010) 1005-1007
Space group: P 21 21 21
Cell volume: 1280.69
Cell parameters: 7.3526; 12.4749; 13.9626; 90; 90; 90;  

COD ID: 1502805
CIF file Formula: - C20 H28 Cl N O6 -
Comments: Zein, Ahmed L.; Dawe, Louise N.; Georghiou, Paris E. Enantioselective total synthesis and X-ray structures of the tetrahydroprotoberberine alkaloids (-)-(S)-tetrahydropalmatrubine and (-)-(S)-corytenchine. Journal of natural products 73(8) (2010) 1427-1430
Space group: P 1 21 1
Cell volume: 989.1
Cell parameters: 11.197; 7.218; 12.421; 90; 99.841; 90;  

COD ID: 1502806
CIF file Formula: - C20 H23 N O4 -
Comments: Zein, Ahmed L.; Dawe, Louise N.; Georghiou, Paris E. Enantioselective total synthesis and X-ray structures of the tetrahydroprotoberberine alkaloids (-)-(S)-tetrahydropalmatrubine and (-)-(S)-corytenchine. Journal of natural products 73(8) (2010) 1427-1430
Space group: P 21 21 21
Cell volume: 1654.3
Cell parameters: 7.2621; 8.0445; 28.318; 90; 90; 90;  

COD ID: 1502807
CIF file Formula: - C17 H20 O6 -
Comments: Chen, Wen-Hao; Wang, Rui; Shi, Yan-Ping Flavonoids in the poisonous plant Oxytropis falcata. Journal of natural products 73(8) (2010) 1398-1403
Space group: P 32
Cell volume: 1162.7
Cell parameters: 9.5608; 9.5608; 14.687; 90; 90; 120;  

COD ID: 1502808
CIF file Formula: - C32 H40 O10 -
Comments: Pan, Jian-Yu; Chen, Shi-Lin; Li, Min-Yi; Li, Jun; Yang, Mei-Hua; Wu, Jun Limonoids from the Seeds of a Hainan Mangrove,Xylocarpus granatum Journal of Natural Products 73(10) (2010) 1672
Space group: P 1 21 1
Cell volume: 1514.45
Cell parameters: 8.1004; 16.0763; 11.7961; 90; 99.64; 90;  

COD ID: 1502809
CIF file Formula: - C32 H40 O10 -
Comments: Pan, Jian-Yu; Chen, Shi-Lin; Li, Min-Yi; Li, Jun; Yang, Mei-Hua; Wu, Jun Limonoids from the Seeds of a Hainan Mangrove,Xylocarpus granatum Journal of Natural Products 73(10) (2010) 1672
Space group: P 1 21 1
Cell volume: 1491.53
Cell parameters: 7.9418; 16.2706; 11.6249; 90; 96.814; 90;  

COD ID: 1502810
CIF file Formula: - C27 H36 O10 -
Comments: Sarigaputi, Chanin; Nuanyai, Thanesuan; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha Xylorumphiins A-D, mexicanolide limonoids from the seed kernels of Xylocarpus rumphii. Journal of natural products 73(8) (2010) 1456-1459
Space group: P 21 21 21
Cell volume: 2472.76
Cell parameters: 10.0323; 10.9812; 22.4456; 90; 90; 90;  

COD ID: 1502811
CIF file Formula: - C14 H19 Cl O6 -
Comments: Lin, Sheng; Shen, Yun-Heng; Zhang, Zhong-Xiao; Li, Hui-Liang; Shan, Lei; Liu, Run-Hui; Xu, Xi-Ke; Zhang, Wei-Dong Revision of the Structures of 1,5-Dihydroxy-3,8-epoxyvalechlorine, Volvaltrate B, and Valeriotetrate C fromValeriana jatamansiandV. officinalis Journal of Natural Products 73(10) (2010) 1723
Space group: P 21 21 21
Cell volume: 1537.6
Cell parameters: 9.547; 12.328; 13.064; 90; 90; 90;  

COD ID: 1502812
CIF file Formula: - C18 H28 O3 -
Comments: Hu, Wei-Min; Li, Min-Yi; Li, Jun; Xiao, Qiang; Feng, Gang; Wu, Jun Dolabranes from the Chinese Mangrove,Ceriops tagal Journal of Natural Products 73(10) (2010) 1701
Space group: P 21 21 21
Cell volume: 3208.2
Cell parameters: 7.6054; 10.8888; 38.7397; 90; 90; 90;  

COD ID: 1502813
CIF file Formula: - C18 H26 O2 -
Comments: Hu, Wei-Min; Li, Min-Yi; Li, Jun; Xiao, Qiang; Feng, Gang; Wu, Jun Dolabranes from the Chinese Mangrove,Ceriops tagal Journal of Natural Products 73(10) (2010) 1701
Space group: P 1 21 1
Cell volume: 3044.9
Cell parameters: 10.9891; 21.7404; 12.9098; 90; 99.167; 90;  

COD ID: 1502814
CIF file Formula: - C20 H22 N2 O3 -
Comments: Tan, Shin-Jowl; Low, Yun-Yee; Choo, Yeun-Mun; Abdullah, Zanariah; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine. Journal of natural products 73(11) (2010) 1891-1897
Space group: P 21 21 21
Cell volume: 1676.96
Cell parameters: 7.8037; 11.7086; 18.3534; 90; 90; 90;  

COD ID: 1502815
CIF file Formula: - C44 H58 N4 O11 -
Comments: Tan, Shin-Jowl; Low, Yun-Yee; Choo, Yeun-Mun; Abdullah, Zanariah; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine. Journal of natural products 73(11) (2010) 1891-1897
Space group: P 21 21 21
Cell volume: 4112.56
Cell parameters: 10.4901; 18.5736; 21.1075; 90; 90; 90;  

COD ID: 1502816
CIF file Formula: - C11 H10 O3 -
Comments: Königs, P; Rinker, B.; Maus, L.; Nieger, M.; Rheinheimer, J.; Waldvogel, S. R. Structural revision and synthesis of altechromone A. Journal of natural products 73(12) (2010) 2064-2066
Space group: P 1 21/c 1
Cell volume: 927.51
Cell parameters: 6.9503; 16.4718; 8.2909; 90; 102.266; 90;  

COD ID: 1502817
CIF file Formula: - C32.55 H51.96 O4 -
Comments: Maldonado, Emma; Díaz-Arumir, Humberto; Toscano, R. Alfredo; Martínez, Mahinda Lupane triterpenes with a δ-lactone at ring E, from Lippia mexicana. Journal of natural products 73(11) (2010) 1969-1972
Space group: P 65
Cell volume: 4220.5
Cell parameters: 20.2775; 20.2775; 11.8524; 90; 90; 120;  

COD ID: 1502818
CIF file Formula: - C15 H22 O2 -
Comments: Pettit, George R.; Meng, Yanhui; Pettit, Robin K.; Herald, Delbert L.; Cichacz, Zbigniew A.; Doubek, Dennis L.; Richert, Linda Antineoplastic agents. 556. Isolation and structure of Coprinastatin 1 from Coprinus cinereus. Journal of natural products 73(3) (2010) 388-392
Space group: C 1 2/c 1
Cell volume: 2547.56
Cell parameters: 31.0432; 8.6025; 9.5501; 90; 92.677; 90;  

COD ID: 1502819
CIF file Formula: - C15 H22 O3 -
Comments: Pettit, George R.; Meng, Yanhui; Pettit, Robin K.; Herald, Delbert L.; Cichacz, Zbigniew A.; Doubek, Dennis L.; Richert, Linda Antineoplastic agents. 556. Isolation and structure of Coprinastatin 1 from Coprinus cinereus. Journal of natural products 73(3) (2010) 388-392
Space group: P 1
Cell volume: 345.964
Cell parameters: 6.7943; 6.0697; 8.6532; 90.358; 104.185; 90.069;  

COD ID: 1502820
CIF file Formula: - C9 H7 N O3 -
Comments: Pettit, George R.; Meng, Yanhui; Pettit, Robin K.; Herald, Delbert L.; Cichacz, Zbigniew A.; Doubek, Dennis L.; Richert, Linda Antineoplastic agents. 556. Isolation and structure of Coprinastatin 1 from Coprinus cinereus. Journal of natural products 73(3) (2010) 388-392
Space group: P 1 21/c 1
Cell volume: 1532.04
Cell parameters: 8.7251; 10.7734; 16.5954; 90; 100.854; 90;  

COD ID: 1502821
CIF file Formula: - C22 H28 O6 -
Comments: Wang, Qi; Chen, Tzu-Hsuan; Bastow, Kenneth F.; Lee, Kuo-Hsiung; Chen, Dao-Feng Altaicalarins A-D, cytotoxic bisabolane sesquiterpenes from Ligularia altaica. Journal of natural products 73(2) (2010) 139-142
Space group: C 1 2 1
Cell volume: 2206.9
Cell parameters: 17.066; 6.9212; 19.004; 90; 100.536; 90;  

COD ID: 1502822
CIF file Formula: - C29 H26 N4 O3 -
Comments: Jiao, Wei-Hua; Gao, Hao; Li, Chen-Yang; Zhao, Feng; Jiang, Ren-Wang; Wang, Ying; Zhou, Guang-Xiong; Yao, Xin-Sheng Quassidines A-D, bis-beta-carboline alkaloids from the stems of Picrasma quassioides. Journal of natural products 73(2) (2010) 167-171
Space group: P 1 21/c 1
Cell volume: 2348.5
Cell parameters: 12.151; 8.4812; 22.796; 90; 91.48; 90;  

COD ID: 1502823
CIF file Formula: - C28 H28 N4 O5 -
Comments: Jiao, Wei-Hua; Gao, Hao; Li, Chen-Yang; Zhao, Feng; Jiang, Ren-Wang; Wang, Ying; Zhou, Guang-Xiong; Yao, Xin-Sheng Quassidines A-D, bis-beta-carboline alkaloids from the stems of Picrasma quassioides. Journal of natural products 73(2) (2010) 167-171
Space group: P -1
Cell volume: 1211.9
Cell parameters: 6.3318; 13.7667; 13.9124; 90.472; 90.815; 91.818;  

COD ID: 1502824
CIF file Formula: - C27 H48 O9 -
Comments: Wang, Rui; Chen, Wen-Hao; Shi, Yan-Ping ent-kaurane and ent-pimarane diterpenoids from Siegesbeckia pubescens. Journal of natural products 73(1) (2010) 17-21
Space group: P 1 21 1
Cell volume: 1382.1
Cell parameters: 13.551; 6.242; 16.767; 90; 102.966; 90;  

COD ID: 1502825
CIF file Formula: - C22 H36 O6 -
Comments: Wang, Rui; Chen, Wen-Hao; Shi, Yan-Ping ent-kaurane and ent-pimarane diterpenoids from Siegesbeckia pubescens. Journal of natural products 73(1) (2010) 17-21
Space group: P 21 21 21
Cell volume: 2159.6
Cell parameters: 7.4147; 10.7871; 27.001; 90; 90; 90;  

COD ID: 1502826
CIF file Formula: - C26 H40 O6 -
Comments: Wang, Rui; Chen, Wen-Hao; Shi, Yan-Ping ent-kaurane and ent-pimarane diterpenoids from Siegesbeckia pubescens. Journal of natural products 73(1) (2010) 17-21
Space group: P 21 21 2
Cell volume: 2531.1
Cell parameters: 21.962; 7.6252; 15.114; 90; 90; 90;  

COD ID: 1502827
CIF file Formula: - C20 H24 N2 O4 -
Comments: Feng, Tao; Cai, Xiang-Hai; Liu, Ya-Ping; Li, Yan; Wang, Yuan-Yuan; Luo, Xiao-Dong Melodinines A-G, monoterpenoid indole alkaloids from Melodinus henryi. Journal of natural products 73(1) (2010) 22-26
Space group: P 21 21 21
Cell volume: 1762.3
Cell parameters: 6.9521; 14.5835; 17.382; 90; 90; 90;  

COD ID: 1502828
CIF file Formula: - C18 H22 O2 -
Comments: Zhu, Qin; Tang, Chun-Ping; Ke, Chang-Qiang; Li, Xi-Qiang; Liu, Jin; Gan, Li-She; Weiss, Hans-Christoph; Gesing, Ernst-Rudolf; Ye, Yang Constituents of Trigonostemon chinensis. Journal of natural products 73(1) (2010) 40-44
Space group: P 21 21 21
Cell volume: 1418.67
Cell parameters: 6.164; 10.0724; 22.85; 90; 90; 90;  

COD ID: 1502829
CIF file Formula: - C20 H16 N2 O3 -
Comments: Zhu, Qin; Tang, Chun-Ping; Ke, Chang-Qiang; Li, Xi-Qiang; Liu, Jin; Gan, Li-She; Weiss, Hans-Christoph; Gesing, Ernst-Rudolf; Ye, Yang Constituents of Trigonostemon chinensis. Journal of natural products 73(1) (2010) 40-44
Space group: P 21 21 21
Cell volume: 1621.7
Cell parameters: 9.294; 11.4297; 15.266; 90; 90; 90;  

COD ID: 1502830
CIF file Formula: - C22 H34 O7 -
Comments: Schmidt, Lori E.; Deyrup, Stephen T.; Baltrusaitis, Jonas; Swenson, Dale C.; Wicklow, Donald T.; Gloer, James B. Hymenopsins A and B and a macrophorin analogue from a fungicolous Hymenopsis sp. Journal of natural products 73(3) (2010) 404-408
Space group: P 1 21 1
Cell volume: 1033.78
Cell parameters: 7.4736; 10.0105; 13.8215; 90; 91.314; 90;  

COD ID: 1502831
CIF file Formula: - C13 H18 Br Cl O3 -
Comments: Lhullier, Cintia; Falkenberg, Miriam; Ioannou, Efstathia; Quesada, Antonio; Papazafiri, Panagiota; Horta, Paulo Antunes; Schenkel, Eloir Paulo; Vagias, Constantinos; Roussis, Vassilios Cytotoxic halogenated metabolites from the Brazilian red alga Laurencia catarinensis. Journal of natural products 73(1) (2010) 27-32
Space group: P 1 21 1
Cell volume: 686.82
Cell parameters: 6.0017; 11.9713; 9.576; 90; 93.375; 90;  

COD ID: 1502832
CIF file Formula: - C10 H17 O6 -
Comments: Lin, Sheng; Chen, Tao; Liu, Xiao-Hua; Shen, Yun-Heng; Li, Hui-Liang; Shan, Lei; Liu, Run-Hui; Xu, Xi-Ke; Zhang, Wei-Dong; Wang, Hui Iridoids and lignans from Valeriana jatamansi. Journal of natural products 73(4) (2010) 632-638
Space group: P 1 21 1
Cell volume: 587
Cell parameters: 5.957; 13.28; 7.662; 90; 104.54; 90;  

COD ID: 1502833
CIF file Formula: - C23 H28 O13 -
Comments: Shimokawa, Yoko; Akao, Yusuke; Hirasawa, Yusuke; Awang, Khalijah; Hadi, A Hamid A; Sato, Seizo; Aoyama, Chihiro; Takeo, Jiro; Shiro, Motoo; Morita, Hiroshi Gneyulins A and B, stilbene trimers, and noidesols A and B, dihydroflavonol-C-glucosides, from the bark of Gnetum gnemonoides. Journal of natural products 73(4) (2010) 763-767
Space group: P 21 21 21
Cell volume: 2344.21
Cell parameters: 9.31894; 11.1351; 22.591; 90; 90; 90;  

COD ID: 1502834
CIF file Formula: - C19 H24 O8 -
Comments: Xu, Liangxiong; He, Zhengxiang; Xue, Jinghua; Chen, Xiaoping; Wei, Xiaoyi beta-Resorcylic acid lactones from a Paecilomyces fungus. Journal of natural products 73(5) (2010) 885-889
Space group: P 21 21 21
Cell volume: 1796.42
Cell parameters: 6.7386; 9.6557; 27.6093; 90; 90; 90;  

COD ID: 1502835
CIF file Formula: - C21 H22 N2 O2 -
Comments: Feng, Tao; Li, Yan; Liu, Ya-Ping; Cai, Xiang-Hai; Wang, Yuan-Yuan; Luo, Xiao-Dong Melotenine A, a cytotoxic monoterpenoid indole alkaloid from Melodinus tenuicaudatus. Organic letters 12(5) (2010) 968-971
Space group: P 21 21 21
Cell volume: 1741.9
Cell parameters: 6.5866; 10.932; 24.192; 90; 90; 90;  

COD ID: 1502836
CIF file Formula: - C22 H19 Cl O4 -
Comments: Cui, Hai-Lei; Huang, Ji-Rong; Lei, Jie; Wang, Zhao-Feng; Chen, Shi; Wu, Li; Chen, Ying-Chun Direct asymmetric allylic alkylation of butenolides with Morita-Baylis-Hillman carbonates. Organic letters 12(4) (2010) 720-723
Space group: P 21 21 21
Cell volume: 1888.1
Cell parameters: 6.7271; 8.4431; 33.243; 90; 90; 90;  

COD ID: 1502837
CIF file Formula: - C80 H108 Cl6 N4 P2 Pd2 -
Comments: Ackermann, Lutz; Potukuchi, Harish K.; Althammer, Andreas; Born, Robert; Mayer, Peter Tetra-ortho-substituted biaryls through palladium-catalyzed Suzuki-Miyaura couplings with a diaminochlorophosphine ligand. Organic letters 12(5) (2010) 1004-1007
Space group: P 1 21/c 1
Cell volume: 4028.07
Cell parameters: 11.3891; 18.0473; 19.6602; 90; 94.5867; 90;  

COD ID: 1502838
CIF file Formula: - C29 H40 O10 -
Comments: Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, I-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Shen, Ya-Ching Arisandilactone A, a new triterpenoid from the fruits of Schisandra arisanensis. Organic letters 12(5) (2010) 1016-1019
Space group: P 21 21 21
Cell volume: 2873.1
Cell parameters: 10.4314; 15.4544; 17.8219; 90; 90; 90;  

COD ID: 1502839
CIF file Formula: - C24 H23 N O -
Comments: Schultz, Danielle M.; Wolfe, John P. Synthesis of polycyclic nitrogen heterocycles via alkene aminopalladation/carbopalladation cascade reactions. Organic letters 12(5) (2010) 1028-1031
Space group: P 21 21 21
Cell volume: 1750.02
Cell parameters: 7.6052; 13.5568; 16.9736; 90; 90; 90;  

COD ID: 1502840
CIF file Formula: - C75.24 H121 N10 O8.12 P S2.12 -
Comments: Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz 7,7'-Diureido-2,2'-diindolylmethanes: anion receptors effective in a highly competitive solvent, methanol. Organic letters 12(5) (2010) 1076-1078
Space group: P -1
Cell volume: 3961.1
Cell parameters: 13.0331; 13.2679; 24.257; 98.544; 93.146; 106.279;  

COD ID: 1502841
CIF file Formula: - C118 H179 N15 O12 P2 -
Comments: Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz 7,7'-Diureido-2,2'-diindolylmethanes: anion receptors effective in a highly competitive solvent, methanol. Organic letters 12(5) (2010) 1076-1078
Space group: P 1 2/n 1
Cell volume: 5707.6
Cell parameters: 18.2601; 12.6607; 24.7388; 90; 93.657; 90;  

COD ID: 1502842
CIF file Formula: - C14 H19 Br N2 O4 -
Comments: Li, Qing; Ding, Chang-Hua; Hou, Xue-Long; Dai, Li-Xin Diastereo- and enantioselective synthesis of alpha,gamma-diaminobutyric acid derivatives via Cu-catalyzed asymmetric Michael reaction. Organic letters 12(5) (2010) 1080-1083
Space group: P 21 21 21
Cell volume: 1680.1
Cell parameters: 5.86; 15.3822; 18.6383; 90; 90; 90;  

COD ID: 1502843
CIF file Formula: - C28 H40 O6 -
Comments: Wang, Cui-Fang; Liu, Jie-Qing; Yan, Yu-Xin; Chen, Jian-Chao; Lu, Yang; Guo, Yong-Hui; Qiu, Ming-Hua Three new triterpenoids containing four-membered ring from the fruiting body of Ganoderma sinense. Organic letters 12(8) (2010) 1656-1659
Space group: P 21 21 21
Cell volume: 2580.82
Cell parameters: 7.6814; 12.1284; 27.7022; 90; 90; 90;  

COD ID: 1502844
CIF file Formula: - C21 H25 N O6 -
Comments: Bogle, Katherine M.; Hirst, David J.; Dixon, Darren J. Total synthesis of (+/-)-powelline and (+/-)-buphanidrine. Organic letters 12(6) (2010) 1252-1254
Space group: P 1 21/c 1
Cell volume: 1921.62
Cell parameters: 5.8975; 12.5457; 25.999; 90; 92.6152; 90;  

COD ID: 1502845
CIF file Formula: - C16 H13 N O4 -
Comments: Mondal, Mukulesh; Ibrahim, Ahmad A.; Wheeler, Kraig A.; Kerrigan, Nessan J. Phosphine-catalyzed asymmetric synthesis of beta-lactones from arylketoketenes and aromatic aldehydes. Organic letters 12(8) (2010) 1664-1667
Space group: P c c n
Cell volume: 2682.44
Cell parameters: 24.6054; 7.0101; 15.5516; 90; 90; 90;  

COD ID: 1502846
CIF file Formula: - C21 H15 N O4 -
Comments: Mondal, Mukulesh; Ibrahim, Ahmad A.; Wheeler, Kraig A.; Kerrigan, Nessan J. Phosphine-catalyzed asymmetric synthesis of beta-lactones from arylketoketenes and aromatic aldehydes. Organic letters 12(8) (2010) 1664-1667
Space group: P 21 21 21
Cell volume: 1695.42
Cell parameters: 9.5125; 10.8526; 16.4229; 90; 90; 90;  

COD ID: 1502847
CIF file Formula: - C22 H23 N O7.08 S -
Comments: Sriramurthy, Vardhineedi; Kwon, Ohyun Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines. Organic letters 12(5) (2010) 1084-1087
Space group: P 1 21/c 1
Cell volume: 4220.7
Cell parameters: 8.608; 26.375; 18.924; 90; 100.775; 90;  


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