Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4500034 | CIF | C36 H26 | P -1 | 10.1713; 12.1167; 13.0185 63.194; 68.387; 65.645 | 1271.35 | Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents Cryst. Growth & Design, 2010, 10, 648-657 |
| 4500035 | CIF | C39 H29 | P -1 | 10.0353; 12.2584; 13.529 65.724; 71.255; 79.74 | 1434.6 | Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents Cryst. Growth & Design, 2010, 10, 648-657 |
| 4500036 | CIF | C30 H22 | P -1 | 5.853; 7.4229; 11.8341 83.8; 89.608; 81.588 | 505.62 | Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents Cryst. Growth & Design, 2010, 10, 648-657 |
| 4500037 | CIF | C30 H22 | P 1 21/c 1 | 5.8971; 23.7467; 7.4112 90; 98.049; 90 | 1027.62 | Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents Cryst. Growth & Design, 2010, 10, 648-657 |
| 4500038 | CIF | C30 H22 | P -1 | 6.0881; 8.4119; 10.6561 104.517; 91.259; 92.359 | 527.56 | Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents Cryst. Growth & Design, 2010, 10, 648-657 |
| 4500039 | CIF | C26 H49 N15 O6 S4 | P 21 21 21 | 11.905; 12.714; 27.347 90; 90; 90 | 4139 | Fatima Helzy; Thierry Maris; James D. Wuest Engineering Hydrogen-Bonded Molecular Crystals Built from 1,3,5-Substituted Derivatives of Benzene: 6,6',6''-(1,3,5-Phenylene)tris-1,3,5-triazine-2,4-diamines Cryst. Growth & Design, 2008, 8, 1547-1553 |
| 4500040 | CIF | C18 H25 N15 O2 | P -1 | 10.8239; 12.0117; 15.85 79.084; 86.515; 69.273 | 1892.42 | Fatima Helzy; Thierry Maris; James D. Wuest Engineering Hydrogen-Bonded Molecular Crystals Built from 1,3,5-Substituted Derivatives of Benzene: 6,6',6''-(1,3,5-Phenylene)tris-1,3,5-triazine-2,4-diamines Cryst. Growth & Design, 2008, 8, 1547-1553 |
| 4500041 | CIF | C29 H57 N15 O7 S4 | P 1 21 1 | 11.8963; 13.2249; 14.5323 90; 102.435; 90 | 2232.69 | Fatima Helzy; Thierry Maris; James D. Wuest Engineering Hydrogen-Bonded Molecular Crystals Built from 1,3,5-Substituted Derivatives of Benzene: 6,6',6''-(1,3,5-Phenylene)tris-1,3,5-triazine-2,4-diamines Cryst. Growth & Design, 2008, 8, 1547-1553 |
| 4500042 | CIF | C32 H36 B N O4 | P 1 21/n 1 | 18.0047; 17.8601; 18.6114 90; 115.519; 90 | 5400.9 | Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design, 2008, 8, 308-318 |
| 4500043 | CIF | C44 H60 B N O4 | P 1 21/c 1 | 12.041; 17.599; 19.68 90; 94.518; 90 | 4157 | Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design, 2008, 8, 308-318 |
| 4500044 | CIF | C34 H36 B N O6 | P 1 2/n 1 | 14.449; 12.011; 17.798 90; 104.99; 90 | 2983.7 | Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design, 2008, 8, 308-318 |
| 4500045 | CIF | C40 H52 B N O4 | P 1 21/c 1 | 11.1413; 16.3143; 19.2076 90; 90.428; 90 | 3491.12 | Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design, 2008, 8, 308-318 |
| 4500046 | CIF | C34 H36 B N O6 | P 1 2 1 | 14.5833; 12.0045; 17.6323 90; 104.137; 90 | 2993.32 | Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design, 2008, 8, 308-318 |
| 4500047 | CIF | C31 H35 B N2 O5 | I 41/a :2 | 30.5053; 30.5053; 12.156 90; 90; 90 | 11312 | Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design, 2008, 8, 308-318 |
| 4500048 | CIF | C29 H31 B N2 O5 | P 1 21/c 1 | 12.0516; 12.5212; 17.4375 90; 100.04; 90 | 2591.03 | Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design, 2008, 8, 308-318 |
| 4500049 | CIF | C48 H36 B O4 P | P 1 21/n 1 | 11.866; 14.925; 21.304 90; 95.84; 90 | 3753.4 | Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design, 2008, 8, 308-318 |
| 4500050 | CIF | C36 H44 B N O4 | P 1 21/c 1 | 23.105; 17.302; 16.392 90; 102.49; 90 | 6398 | Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design, 2008, 8, 308-318 |
| 4500051 | CIF | C52 H48 B2 Cl3 N3 O9 | P 1 2/n 1 | 12.8717; 12.0303; 14.9133 90; 90.344; 90 | 2309.29 | Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design, 2008, 8, 308-318 |
| 4500052 | CIF | C110 H89 B2 N3 O11 | P 1 21 1 | 15.2276; 15.6443; 19.1539 90; 108.837; 90 | 4318.55 | Tao Tu; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL) Cryst. Growth & Design, 2008, 8, 1541-1546 |
| 4500053 | CIF | C44 H36 B N O4 | P 21 21 2 | 18.6055; 21.7959; 13.1561 90; 90; 90 | 5335.1 | Tao Tu; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL) Cryst. Growth & Design, 2008, 8, 1541-1546 |
| 4500054 | CIF | C44 H36 B N O4 | C 1 c 1 | 28.665; 15.857; 7.3927 90; 91.81; 90 | 3358.6 | Tao Tu; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL) Cryst. Growth & Design, 2008, 8, 1541-1546 |
| 4500055 | CIF | C54 H40 B N O4 | P 65 | 24.969; 24.969; 16.924 90; 90; 120 | 9137.7 | Tao Tu; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL) Cryst. Growth & Design, 2008, 8, 1541-1546 |
| 4500056 | CIF | C50 H32 N6 O2 | P 42 21 2 | 15.118; 15.118; 9.105 90; 90; 90 | 2081 | Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions Cryst. Growth & Design, 2006, 6, 461-466 |
| 4500057 | CIF | C50 H32 N6 O2 | P 1 21/n 1 | 9.053; 15.12; 15.057 90; 102.25; 90 | 2014.1 | Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions Cryst. Growth & Design, 2006, 6, 461-466 |
| 4500058 | CIF | C52 H36 N6 O2 | P 42 21 2 | 15.2168; 15.2168; 9.0188 90; 90; 90 | 2088.31 | Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions Cryst. Growth & Design, 2006, 6, 461-466 |
| 4500059 | CIF | C60 H48 N6 O6 | P 1 21/c 1 | 9.0763; 14.7937; 19.3722 90; 91.237; 90 | 2600.5 | Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions Cryst. Growth & Design, 2006, 6, 461-466 |
| 4500060 | CIF | C66 H72 N12 O9 | R -3 m :H | 23.572; 23.572; 10.2698 90; 90; 120 | 4941.8 | Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions Cryst. Growth & Design, 2006, 6, 461-466 |
| 4500061 | CIF | C60 H64 N6 O8 S6 | R 3 2 :H | 23.338; 23.338; 10.842 90; 90; 120 | 5114 | Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions Cryst. Growth & Design, 2006, 6, 461-466 |
| 4500062 | CIF | C72 H72 N6 O12 | R -3 m :H | 24.165; 24.165; 9.9242 90; 90; 120 | 5018.8 | Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions Cryst. Growth & Design, 2006, 6, 461-466 |
| 4500063 | CIF | C78 H81 N9 O6 | R -3 m :H | 23.6533; 23.6533; 10.1601 90; 90; 120 | 4922.8 | Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions Cryst. Growth & Design, 2006, 6, 461-466 |
| 4500064 | CIF | C37 H28 O4 | I -4 | 13.12; 13.12; 8.881 90; 90; 90 | 1528.7 | Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether Cryst. Growth & Design, 2006, 6, 1335-1340 |
| 4500065 | CIF | C37 H28 O4 | C 1 2/c 1 | 19.338; 8.849; 18.388 90; 90.329; 90 | 3147 | Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether Cryst. Growth & Design, 2006, 6, 1335-1340 |
| 4500066 | CIF | C61 H44 O4 | P b c a | 10.0538; 25.6951; 34.3888 90; 90; 90 | 8883.8 | Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether Cryst. Growth & Design, 2006, 6, 1335-1340 |
| 4500067 | CIF | C132 H110 O9 | P -1 | 13.3774; 18.5479; 21.6543 91.4; 98.717; 98.773 | 5242.5 | Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether Cryst. Growth & Design, 2006, 6, 1335-1340 |
| 4500068 | CIF | C25 H24 N4 | I 41/a :2 | 16.8018; 16.8018; 7.1674 90; 90; 90 | 2023.36 | Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines Cryst. Growth & Design, 2005, 5, 1451-1456 |
| 4500069 | CIF | C29 H32 N4 O4 | I -4 | 12.7089; 12.7089; 8.2149 90; 90; 90 | 1326.84 | Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines Cryst. Growth & Design, 2005, 5, 1451-1456 |
| 4500070 | CIF | C26.5 H25.5 N4.5 O1.5 | P 21 21 21 | 10.6545; 14.404; 29.086 90; 90; 90 | 4463.8 | Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines Cryst. Growth & Design, 2005, 5, 1451-1456 |
| 4500071 | CIF | C26 H24.667 N4 O0.333 | P 1 21/c 1 | 32.927; 9.33; 21.448 90; 99.103; 90 | 6506 | Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines Cryst. Growth & Design, 2005, 5, 1451-1456 |
| 4500072 | CIF | C46 H52 N6 O7 | P 21 21 21 | 6.0353; 24.6349; 28.1607 90; 90; 90 | 4186.9 | Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines Cryst. Growth & Design, 2005, 5, 1451-1456 |
| 4500073 | CIF | C134.5 H128 N40 O7.5 S5 | P -1 | 12.2162; 21.2975; 30.884 93.026; 94.69; 96.419 | 7942.5 | Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2',7,7'-Tetraphenyl-9,9'-spirobi[9H-fluorene] Cryst. Growth & Design, 2005, 5, 1227-1235 |
| 4500074 | CIF | C150 H178 N40 O17 S14 | P 1 | 13.458; 17.788; 20.721 81.076; 74.96; 70.755 | 4509.6 | Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2',7,7'-Tetraphenyl-9,9'-spirobi[9H-fluorene] Cryst. Growth & Design, 2005, 5, 1227-1235 |
| 4500075 | CIF | C31 H24 N4 O11 | P -1 | 8.7222; 10.4838; 16.7599 85.288; 88.006; 70.332 | 1438.22 | Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes Cryst. Growth & Design, 2005, 5, 1237-1245 |
| 4500076 | CIF | C31 H14 Cl6 N4 | C 1 2/c 1 | 14.006; 15.852; 14.318 90; 99.78; 90 | 3132.73 | Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes Cryst. Growth & Design, 2005, 5, 1237-1245 |
| 4500077 | CIF | C102 H64 N8 O18 | P -1 | 16.116; 16.2973; 18.7307 64.223; 69.471; 89.408 | 4089.3 | Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes Cryst. Growth & Design, 2005, 5, 1237-1245 |
| 4500078 | CIF | C65 H52 N4 O6 | P -1 | 13.3274; 14.2569; 14.8016 93.161; 98.071; 109.723 | 2605.3 | Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes Cryst. Growth & Design, 2005, 5, 1237-1245 |
| 4500079 | CIF | C49 H28 N4 O8 | I 41/a :2 | 12.3873; 12.3873; 24.1863 90; 90; 90 | 3711.27 | Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes Cryst. Growth & Design, 2005, 5, 1237-1245 |
| 4500080 | CIF | C53 H28 N4 | I 41/a :2 | 13.2114; 13.2114; 21.539 90; 90; 90 | 3759.4 | Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes Cryst. Growth & Design, 2005, 5, 1237-1245 |
| 4500081 | CIF | C24 H20 O4 Si | I 41/a :2 | 17.1641; 17.1641; 7.2676 90; 90; 90 | 2141.08 | Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane Cryst. Growth & Design, 2003, 2, 535-540 |
| 4500082 | CIF | C29 H28 O6 | P 1 21/c 1 | 10.243; 15.673; 15.412 90; 100.86; 90 | 2429.9 | Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane Cryst. Growth & Design, 2003, 2, 535-540 |
| 4500083 | CIF | C24 H22 O5 Si | C 1 2/c 1 | 14.962; 15.855; 19.697 90; 111.49; 90 | 4348 | Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane Cryst. Growth & Design, 2003, 2, 535-540 |
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