Crystallography Open Database

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4500000 CIFC24 H18 N2 O7C 1 2/c 132.531; 5.2697; 24.159
90; 98.191; 90
4099.3Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500001 CIFC47 H40 N6 O16C 1 2/c 134.355; 5.3795; 23.654
90; 93.952; 90
4361.2Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500002 CIFC16 H14 N2 O3P 1 21/c 15.2031; 14.741; 17.882
90; 98.132; 90
1357.7Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500003 CIFC18 H18 N2 O2P -17.3985; 8.9054; 11.873
95.809; 93.401; 101.362
760.5Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500004 CIFC17 H16 N2 O3P 1 21/c 15.1206; 15.7136; 18.4986
90; 96.546; 90
1478.8Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500005 CIFC36 H28 N4 O4P 1 21/c 110.3335; 27.611; 4.996
90; 102.275; 90
1392.9Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500006 CIFC44 H40 N4 O10C 1 2/c 118.388; 12.682; 16.429
90; 100.491; 90
3767.1Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500007 CIFC19 H20 N2 O3P -19.1567; 10.1745; 10.5116
72.85; 70.288; 67.269
834.91Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500008 CIFC16 H15 N3 O2P -15.1077; 16.057; 17.752
73.711; 89.35; 88.636
1397.1Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500009 CIFC34 H36 N4 O4 S2P -17.3254; 8.889; 12.208
94.84; 94.926; 100.048
775.8Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500010 CIFC21 H18 N4 O2P 1 21/n 15.0961; 17.595; 19.647
90; 90.917; 90
1761.4Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500011 CIFC38 H30 N4 O4C 1 2/c 129.191; 4.962; 20.316
90; 92.105; 90
2941Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4500012 CIFC22 H17 N3 O4 SP -17.514; 10.4538; 12.6826
83.642; 85.697; 75.411
957Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko
Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine
Crystal Growth & Design, 2003, 3, 909-919
4505638 CIFC24 H24 Cd5 Cl K0 Na3 O24 Zn0I 2 311.8931; 11.8931; 11.8931
90; 90; 90
1682.23Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.
Open-Framework Cadmium Succinates with Interpenetrating Frameworks Formed by Tetrahedral [ClCd4O24] and [BrCd4O24] Clusters
Crystal Growth & Design, 2003, 3, 47
4505639 CIFC24 H24 Br Cd5 Na3 O24I 2 311.8526; 11.8526; 11.8526
90; 90; 90
1665.1Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.
Open-Framework Cadmium Succinates with Interpenetrating Frameworks Formed by Tetrahedral [ClCd4O24] and [BrCd4O24] Clusters
Crystal Growth & Design, 2003, 3, 47
4505640 CIFC28 H54 Cu2 Mo N16 O10.5P 1 21/c 110.278; 25.507; 17.398
90; 99.581; 90
4497Larionova, Joulia; Clérac, Rodolphe; Donnadieu, Bruno; Willemin, Stephanie; Guérin, Christian
Synthesis and Structure of a Two-Dimensional Cyano-Bridged Coordination Polymer [Cu(cyclam)]2[Mo(CN)8]·10.5H2O (Cyclam = 1,4,8,11-Tetraazacyclodecane)
Crystal Growth & Design, 2003, 3, 267
4505641 CIFC10 H6 N2 OP 1 21/c 19.271; 3.811; 23.632
90; 100.15; 90
821.9Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.
Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene
Crystal Growth & Design, 2003, 3, 383
4505642 CIFC15 H15 N3 O3P 1 21 114.7555; 5.2827; 18.856
90; 111.445; 90
1368Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.
Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene
Crystal Growth & Design, 2003, 3, 383
4505643 CIFC11 H8 N2 O2P 1 21/n 14.836; 13.042; 32.438
90; 92.94; 90
2043.2Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.
Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene
Crystal Growth & Design, 2003, 3, 383
4505644 CIFC11 H8 N2 O2P 1 21/c 19.199; 13.98; 16.125
90; 100.09; 90
2041.6Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.
Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene
Crystal Growth & Design, 2003, 3, 383
4505645 CIFC2 H5 N O2P 1 21 15.0785; 6.1923; 5.3869
90; 113.346; 90
155.54Ferrari, Elena S.; Davey, Roger J.; Cross, Wendy I.; Gillon, Amy L.; Towler, Christopher S.
Crystallization in Polymorphic Systems: The Solution-Mediated Transformation of β to α Glycine
Crystal Growth & Design, 2003, 3, 53
4505646 CIFC13 H16 O2P 1 21 110.076; 11.782; 10.599
90; 114.99; 90
1140.5Kitamura, Masato; Nakano, Keiji
Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering
Crystal Growth & Design, 2003, 3, 25
4505647 CIFC13 H16 O2C 1 2 121.3075; 5.7687; 10.172
90; 111.954; 90
1159.64Kitamura, Masato; Nakano, Keiji
Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering
Crystal Growth & Design, 2003, 3, 25
4505648 CIFC14 H18 O2P 1 21/c 15.6823; 25.2337; 8.7846
90; 92.939; 90
1257.9Kitamura, Masato; Nakano, Keiji
Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering
Crystal Growth & Design, 2003, 3, 25
4505649 CIFC14 H18 O2P 1 21/c 114.9; 5.743; 15.803
90; 115.555; 90
1220Kitamura, Masato; Nakano, Keiji
Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering
Crystal Growth & Design, 2003, 3, 25
4505650 CIFC14 H18 O2P 21 21 218.554; 24.382; 5.903
90; 90; 90
1231.2Kitamura, Masato; Nakano, Keiji
Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering
Crystal Growth & Design, 2003, 3, 25
4505651 CIFC14 H18 O2C 1 2 120.817; 5.835; 11.104
90; 113.83; 90
1233.8Kitamura, Masato; Nakano, Keiji
Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering
Crystal Growth & Design, 2003, 3, 25
4505652 CIFCu0.68 Ge0.02 Sn0.3P 63/m m c2.7603; 2.7603; 4.3275
90; 90; 120
28.555Purdy, Andrew P.; Case, Sean; George, Clifford
Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal
Crystal Growth & Design, 2003, 3, 121
4505653 CIFAg0.72 Ge0.02 Sn0.26P 63/m m c2.9491; 2.9491; 4.7734
90; 90; 120
35.953Purdy, Andrew P.; Case, Sean; George, Clifford
Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal
Crystal Growth & Design, 2003, 3, 121
4505654 CIFGe H3 N O8 Sn6F 2 310.4959; 10.4959; 10.4959
90; 90; 90
1156.27Purdy, Andrew P.; Case, Sean; George, Clifford
Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal
Crystal Growth & Design, 2003, 3, 121
4505655 CIFC6 H6 N2 OP 1 21/c 110.1756; 5.7319; 10.034
90; 98.042; 90
579.48Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark
Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility
Crystal Growth & Design, 2003, 3, 159
4505656 CIFC6 H6 N2 OP 1 21/c 115.735; 7.9976; 9.885
90; 105.586; 90
1198.2Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark
Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility
Crystal Growth & Design, 2003, 3, 159
4505657 CIFC12 H16 N2 O3I 1 2/a 120.445; 5.2309; 23.008
90; 96.981; 90
2442.4Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark
Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility
Crystal Growth & Design, 2003, 3, 159
4505658 CIFC13 H11 N3 O5I 1 2/a 120.512; 5.1675; 23.694
90; 90.66; 90
2511.3Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark
Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility
Crystal Growth & Design, 2003, 3, 159
4505659 CIFC21 H18 N4 O9P -17.7628; 8.7216; 15.7426
93.483; 98.981; 93.913
1047.6Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark
Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility
Crystal Growth & Design, 2003, 3, 159
4505660 CIFC9 H9 N7 O4P 1 21/n 111.786; 5.1614; 19.975
90; 95.275; 90
1210Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark
Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility
Crystal Growth & Design, 2003, 3, 159
4505661 CIFC14 H10 Cl N3 O7P -17.2458; 8.626; 13.2806
92.566; 101.875; 109.472
760Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark
Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility
Crystal Growth & Design, 2003, 3, 159
4505662 CIFC16 H17 Cl N2 O3P -17.1732; 8.3689; 12.997
88.638; 80.875; 77.463
751.9Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark
Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility
Crystal Growth & Design, 2003, 3, 159
4505663 CIFC18 H16 Cl2 N2 O6P -19.2674; 10.1386; 10.4805
86.428; 72.174; 89.506
935.58Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark
Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility
Crystal Growth & Design, 2003, 3, 159
4505664 CIFC17 H16 Cl N3 O2P -18.2623; 8.3431; 12.144
76.523; 83.988; 73.782
781Price, Christopher P.; Grzesiak, Adam L.; Kampf, Jeff W.; Matzger, Adam J.
Maize 1: A Trimorphic Azo Pigment
Crystal Growth & Design, 2003, 3, 1021
4505665 CIFC17 H16 Cl N3 O2P -17.953; 11.194; 18.708
72.621; 86.105; 89.93
1585.5Price, Christopher P.; Grzesiak, Adam L.; Kampf, Jeff W.; Matzger, Adam J.
Maize 1: A Trimorphic Azo Pigment
Crystal Growth & Design, 2003, 3, 1021
4505666 CIFC17 H16 Cl N3 O2P -18.338; 14.312; 14.95
106.184; 102.148; 100.392
1619.8Price, Christopher P.; Grzesiak, Adam L.; Kampf, Jeff W.; Matzger, Adam J.
Maize 1: A Trimorphic Azo Pigment
Crystal Growth & Design, 2003, 3, 1021
4505667 CIFC8 H26 Ag B18 Co N2C 1 c 17.1475; 28.7276; 10.7856
90; 93.829; 90
2209.67Ahmad, Ruksanna; Hardie, Michaele J.
Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules
Crystal Growth & Design, 2003, 3, 493
4505668 CIFC60 H87 Ag B18 Co N O13C 1 2/m 120.8368; 14.8687; 10.8352
90; 99.651; 90
3309.41Ahmad, Ruksanna; Hardie, Michaele J.
Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules
Crystal Growth & Design, 2003, 3, 493
4505669 CIFC38 H62.5 Ag B18 Co N3.5 O6P -113.0734; 13.72; 15.2873
81.817; 80.249; 68.822
2510.07Ahmad, Ruksanna; Hardie, Michaele J.
Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules
Crystal Growth & Design, 2003, 3, 493
4505670 CIFC39.5 H64.75 Ag B18 Co N4.25 O6P -112.3042; 12.9172; 17.4093
75.765; 85.195; 85.813
2668.64Ahmad, Ruksanna; Hardie, Michaele J.
Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules
Crystal Growth & Design, 2003, 3, 493
4505671 CIFC32 H18 Ag F3 N4 O8 SC 1 c 117.4002; 11.1573; 17.4202
90; 113.479; 90
3101.9Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.
1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)
Crystal Growth & Design, 2003, 3, 331
4505672 CIFC105 H75 Ag3 B3 F12 N9 O14P 1 21/c 125.5147; 15.7026; 28.2414
90; 113.896; 90
10345Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.
1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)
Crystal Growth & Design, 2003, 3, 331
4505673 CIFC36 H27 Ag F6 N3 O5 PP 1 21 18.1274; 15.7754; 14.0542
90; 103.267; 90
1753.84Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.
1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)
Crystal Growth & Design, 2003, 3, 331
4505674 CIFC5 H4 Br13 Cu5 NP -19.8102; 10.0076; 12.8246
103.151; 97.03; 98.851
1195.1Haddad, Salim; Awwadi, Firas; Willett, Roger D.
A Planar Bibridged Cu10Br222-Oligomer: Dimensional Reduction and Recombination of the CuBr2Lattice via the N−H···Br-and the C−Br···Br-Synthons
Crystal Growth & Design, 2003, 3, 501

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