Crystallography Open Database

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1504397 CIFC H Br3P 636.3119; 6.3119; 7.151
90; 90; 120
246.7Dziubek, Kamil F.; Katrusiak, Andrzej
Polar symmetry in new high-pressure phases of chloroform and bromoform.
The journal of physical chemistry. B, 2008, 112, 12001-12009
1504398 CIFC32 H27 Cl3 Mn3 N3 O12 SP -111.5076; 13.8717; 14.1965
117.336; 90.196; 109.517
1863.9Moro, F.; Corradini, V.; Evangelisti, M.; De Renzi, V.; Biagi, R.; del Pennino, U.; Milios, C. J.; Jones, L. F.; Brechin, E. K.
Grafting derivatives of Mn6 single-molecule magnets with high anisotropy energy barrier on Au111 surface.
The journal of physical chemistry. B, 2008, 112, 9729-9735
1504399 CIFC85 H109 Mn6 N7 O26 S2P -112.8647; 13.1373; 16.1689
92.116; 101.617; 114.076
2422.07Moro, F.; Corradini, V.; Evangelisti, M.; De Renzi, V.; Biagi, R.; del Pennino, U.; Milios, C. J.; Jones, L. F.; Brechin, E. K.
Grafting derivatives of Mn6 single-molecule magnets with high anisotropy energy barrier on Au111 surface.
The journal of physical chemistry. B, 2008, 112, 9729-9735
1504400 CIFFe SP 63/m m c3.445; 3.445; 5.763
90; 90; 120
59.232Shen, Jian-Min; Feng, Yi-Tao
Formation of Flower-Like Carbon Nanosheet Aggregations and Their Electrochemical Application
Journal of Physical Chemistry C, 2008, 112, 13114
1504401 CIFC65 H59.5 B2 F7 Ni O P3P -113.318; 13.946; 17.017
76.88; 68.233; 83.948
2857.9Saraev, V. V.; Kraikivskii, P. B.; Svoboda, I.; Kuzakov, A. S.; Jordan, R. F.
Synthesis, molecular structure, and EPR analysis of the three-coordinate Ni(I) complex [Ni(PPh3)3][BF4].
The journal of physical chemistry. A, 2008, 112, 12449-12455
1504402 CIFB H4 LiP n m a7.141; 4.431; 6.748
90; 90; 90
213.5Filinchuk, Yaroslav; Chernyshov, Dmitry; Cerny, Radovan
Lightest Borohydride Probed by Synchrotron X-ray Diffraction: Experiment Calls for a New Theoretical Revision
Journal of Physical Chemistry C, 2008, 112, 10579
1504403 CIFB H4 LiP 63 m c4.3228; 4.3228; 7.0368
90; 90; 120
113.88Filinchuk, Yaroslav; Chernyshov, Dmitry; Cerny, Radovan
Lightest Borohydride Probed by Synchrotron X-ray Diffraction: Experiment Calls for a New Theoretical Revision
Journal of Physical Chemistry C, 2008, 112, 10579
1504404 CIFC125 H139 Br4 N4 O4P 1 21/n 116.3983; 31.037; 22.388
90; 102.401; 90
11128.6Xie, Yongshu; Hill, Jonathan P.; Schumacher, Amy Lea; Sandanayaka, Atula S. D.; Araki, Yasuyuki; Karr, Paul A.; Labuta, Jan; D’Souza, Francis; Ito, Osamu; Anson, Christopher E.; Powell, Annie K.; Ariga, Katsuhiko
Twisted, Two-Faced Porphyrins as Hosts for Bispyridyl Fullerenes: Construction and Photophysical Properties
Journal of Physical Chemistry C, 2008, 112, 10559
1504405 CIFC12 H8 N2P 1 21/n 17.472; 8.749; 13.864
90; 102.48; 90
884.9Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A.
Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption.
The journal of physical chemistry. A, 2008, 112, 8238-8253
1504406 CIFC11 H8 N2F d d 212.839; 11.055; 12.213
90; 90; 90
1733.5Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A.
Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption.
The journal of physical chemistry. A, 2008, 112, 8238-8253
1504407 CIFC6 H16 Cu2 N4 O6P b c a8.3395; 8.5023; 17.1507
90; 90; 90
1216.07Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.
The journal of physical chemistry. A, 2008, 112, 9050-9067
1504408 CIFC6 H16 Cu2 N4 O6P b c a8.3459; 8.5084; 17.1684
90; 90; 90
1219.13Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.
The journal of physical chemistry. A, 2008, 112, 9050-9067
1504409 CIFC6 H16 Cu2 N4 O8P 1 21/c 18.8024; 8.0562; 9.2531
90; 104.818; 90
634.35Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.
The journal of physical chemistry. A, 2008, 112, 9050-9067
1504410 CIFC8 H18 Cu2 N2 O6P 1 21/c 18.4758; 8.7735; 8.3445
90; 99.616; 90
611.8Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.
The journal of physical chemistry. A, 2008, 112, 9050-9067
1504411 CIFC18 H15 Au Cl PP 21 21 2110.1077; 12.2492; 12.9943
90; 90; 90
1608.84Borissova, Alexandra O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.
Estimation of dissociation energy in donor-acceptor complex AuCl x PPh3 via topological analysis of the experimental electron density distribution function.
The journal of physical chemistry. A, 2008, 112, 11519-11522
1504412 CIFC18 H16 N2 S4P -19.894; 13.952; 14.722
106.546; 106.556; 103.482
1754.7Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie
Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.
The journal of physical chemistry. A, 2008, 112, 13672-13678
1504413 CIFC19 H17 F3 N2 O3 S5P -19.127; 11.4047; 11.902
71.207; 82.276; 79.411
1149.1Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie
Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.
The journal of physical chemistry. A, 2008, 112, 13672-13678
1504414 CIFC17 H13 F3 N2 O3 S5C 1 2/c 121.068; 14.014; 14.368
90; 106.74; 90
4062.3Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie
Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.
The journal of physical chemistry. A, 2008, 112, 13672-13678
1504415 CIFC33 H30 Cl2 N4 O9 S8P -112.3485; 13.1326; 15.2098
69.981; 67.801; 62.584
1984.2Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie
Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.
The journal of physical chemistry. A, 2008, 112, 13672-13678
1504416 CIFC31 H17 B F20 O SiP -110.1347; 17.4222; 19.6456
67.543; 80.967; 81.909
3153.6Zhang, Yuetao; Chen, Eugene Y.-X.
Controlled Polymerization of Methacrylates to High Molecular Weight Polymers Using Oxidatively Activated Group Transfer Polymerization Initiators
Macromolecules, 2008, 41, 36
1504417 CIFC27 H42 N2 O6P 21 21 2112.127; 20.474; 10.506
90; 90; 90
2608.5Katsumata, Toru; Qu, Jinqing; Shiotsuki, Masashi; Satoh, Masaharu; Wada, Jun; Igarashi, Jun; Mizoguchi, Kenji; Masuda, Toshio
Synthesis, Characterization, and Charge/Discharge Properties of Polynorbornenes Carrying 2,2,6,6-Tetramethylpiperidine-1-oxy Radicals at High Density
Macromolecules, 2008, 41, 1175
1504418 CIFC14 H13 Br2 N O3P 1 21/n 17.0959; 24.662; 8.981
90; 99.033; 90
1552.2Nagata, Yuuya; Otaka, Hiromichi; Chujo, Yoshiki
Synthesis of New Main-Chain-Type Organoboron Quinolate Polymer Linked on Quinolate Ligand
Macromolecules, 2008, 41, 737
1504419 CIFC14 H18 Cl2 ZrP n 21 a6.6716; 10.4461; 21.497
90; 90; 90
1498.2Huang, Rubin; Duchateau, Robbert; Koning, Cor E.; Chadwick, John C.
Zirconocene Immobilization and Activation on MgCl2-Based Supports: Factors Affecting Ethylene Polymerization Activity
Macromolecules, 2008, 41, 579
1504420 CIFC31 H45 Ho N2 Si2P 1 21/c 110.5662; 23.2337; 13.8856
90; 107.19; 90
3256.5Wang, Baoli; Cui, Dongmei; Lv, Kui
Highly 3,4-Selective Living Polymerization of Isoprene with Rare Earth Metal Fluorenyl N-Heterocyclic Carbene Precursors
Macromolecules, 2008, 41, 1983
1504421 CIFC38.5 H50.5 Ho N2 Si2C 1 2/c 137.866; 11.041; 20.5883
90; 117.228; 90
7653.8Wang, Baoli; Cui, Dongmei; Lv, Kui
Highly 3,4-Selective Living Polymerization of Isoprene with Rare Earth Metal Fluorenyl N-Heterocyclic Carbene Precursors
Macromolecules, 2008, 41, 1983
1504422 CIFC38.5 H51 Lu N2 Si2C 1 2/c 137.901; 11.0382; 20.4629
90; 117.162; 90
7616.7Wang, Baoli; Cui, Dongmei; Lv, Kui
Highly 3,4-Selective Living Polymerization of Isoprene with Rare Earth Metal Fluorenyl N-Heterocyclic Carbene Precursors
Macromolecules, 2008, 41, 1983
1504423 CIFC38.5 H51 N2 Sc Si2C 1 2/c 137.871; 11.0322; 20.2313
90; 117; 90
7531.4Wang, Baoli; Cui, Dongmei; Lv, Kui
Highly 3,4-Selective Living Polymerization of Isoprene with Rare Earth Metal Fluorenyl N-Heterocyclic Carbene Precursors
Macromolecules, 2008, 41, 1983
1504424 CIFC48 H45 Cl2 N O3 P2 Pt SP 21 21 221.9306; 22.6595; 8.9104
90; 90; 90
4427.9Peng, Ya-Liu; Lai, Shu-Ling; Lin, Chu-Chieh
Preparation of Polypeptide via Living Polymerization ofZ-Lys-NCA Initiated by Platinum Complexes
Macromolecules, 2008, 41, 3455
1504425 CIFC48 H46 Cl2 N2 O2 P2 Pt SP 21 21 221.9559; 22.58; 8.891
90; 90; 90
4407.8Peng, Ya-Liu; Lai, Shu-Ling; Lin, Chu-Chieh
Preparation of Polypeptide via Living Polymerization ofZ-Lys-NCA Initiated by Platinum Complexes
Macromolecules, 2008, 41, 3455
1504426 CIFC21 H14 B I2 N OP -110.152; 11.566; 17.265
99.561; 90.613; 110.05
1872.9Nagata, Yuuya; Chujo, Yoshiki
Synthesis of Methyl-Substituted Main-Chain-Type Organoboron Quinolate Polymers and Their Emission Color Tuning
Macromolecules, 2008, 41, 2809
1504427 CIFC22 H16 B I2 N OP 1 21/c 110.946; 14.726; 12.5476
90; 95.614; 90
2012.9Nagata, Yuuya; Chujo, Yoshiki
Synthesis of Methyl-Substituted Main-Chain-Type Organoboron Quinolate Polymers and Their Emission Color Tuning
Macromolecules, 2008, 41, 2809
1504428 CIFC45 H34 B2 Cl2 I4 N2 O2P 1 21/n 112.0045; 21.615; 17.3932
90; 102.415; 90
4407.6Nagata, Yuuya; Chujo, Yoshiki
Synthesis of Methyl-Substituted Main-Chain-Type Organoboron Quinolate Polymers and Their Emission Color Tuning
Macromolecules, 2008, 41, 2809
1504429 CIFC23 H19 B N2 OP -110.127; 12.996; 14.471
91.987; 100.256; 107.122
1783.3Nagata, Yuuya; Chujo, Yoshiki
Main-Chain-TypeN,N′-Chelate Organoboron Aminoquinolate Polymers: Synthesis, Luminescence, and Energy Transfer Behavior
Macromolecules, 2008, 41, 3488
1504430 CIFC24 H19 B Cl2 I2 N2 OP b c a16.7466; 20.0392; 29.3774
90; 90; 90
9858.7Nagata, Yuuya; Chujo, Yoshiki
Main-Chain-TypeN,N′-Chelate Organoboron Aminoquinolate Polymers: Synthesis, Luminescence, and Energy Transfer Behavior
Macromolecules, 2008, 41, 3488
1504431 CIFC35 H63 Ca N3 O2 Si2C 1 c 121.7989; 10.4434; 17.3961
90; 94.427; 90
3948.5Darensbourg, Donald J.; Choi, Wonsook; Karroonnirun, Osit; Bhuvanesh, Nattamai
Ring-Opening Polymerization of Cyclic Monomers by Complexes Derived from Biocompatible Metals. Production of Poly(lactide), Poly(trimethylene carbonate), and Their Copolymers
Macromolecules, 2008, 41, 3493
1504432 CIFC46 H78 Ca2 Cl2 N4 O4P 4/n :219.4608; 19.4608; 13.794
90; 90; 90
5224.1Darensbourg, Donald J.; Choi, Wonsook; Karroonnirun, Osit; Bhuvanesh, Nattamai
Ring-Opening Polymerization of Cyclic Monomers by Complexes Derived from Biocompatible Metals. Production of Poly(lactide), Poly(trimethylene carbonate), and Their Copolymers
Macromolecules, 2008, 41, 3493
1504433 CIFC24 H27 B N6 RuP -19.391; 10.4269; 12.3173
71.477; 77.291; 82.09
1112.6Qin, Yang; Cui, Chengzhong; Jäkle, Frieder
Tris(1-pyrazolyl)borate (Scorpionate) Functionalized Polymers as Scaffolds for Metallopolymers
Macromolecules, 2008, 41, 2972
1504434 CIFC10 H17 N O4P 1 21/c 14.9954; 13.3694; 17.6342
90; 94.931; 90
1173.35Huang, Xiaonan; Du, Fusheng; Liang, Dehai; Lin, Shrong-Shi; Li, Zichen
Stereochemical Effect ofTrans/CisIsomers on the Aqueous Solution Properties of Acid-Labile Thermoresponsive Polymers
Macromolecules, 2008, 41, 5433
1504435 CIFC10 H17 N O4P 1 21/c 123.3691; 5.6401; 19.1585
90; 107.032; 90
2414.41Huang, Xiaonan; Du, Fusheng; Liang, Dehai; Lin, Shrong-Shi; Li, Zichen
Stereochemical Effect ofTrans/CisIsomers on the Aqueous Solution Properties of Acid-Labile Thermoresponsive Polymers
Macromolecules, 2008, 41, 5433
1504436 CIFC18 H28 N2 SP -16.8939; 10.021; 13.685
86.94; 77.72; 88.07
922.2Wen, Li; Duck, Benjamin C.; Dastoor, Paul C.; Rasmussen, Seth C.
Poly(2,3-dihexylthieno[3,4-b]pyrazine) via GRIM Polymerization: Simple Preparation of a Solution Processable, Low-Band-Gap Conjugated Polymer
Macromolecules, 2008, 41, 4576
1504437 CIFC18 H26 Br2 N2 SC 1 2/c 125.996; 10.36; 7.8366
90; 103.12; 90
2055.4Wen, Li; Duck, Benjamin C.; Dastoor, Paul C.; Rasmussen, Seth C.
Poly(2,3-dihexylthieno[3,4-b]pyrazine) via GRIM Polymerization: Simple Preparation of a Solution Processable, Low-Band-Gap Conjugated Polymer
Macromolecules, 2008, 41, 4576
1504438 CIFC34.5 H22 Br2 O2P -19.024; 10.6443; 15.295
109.647; 94.2604; 93.674
1373.58McFarlane, Shaune L.; Coumont, Leah S.; Piercey, Davin G.; McDonald, Robert; Veinot, Jonathan G. C.
“One-Pot” Synthesis of a Thermally Stable Blue Emitter: Poly[spiro(fluorene-9,9′-(2′-phenoxy-xanthene)]
Macromolecules, 2008, 41, 7780
1504439 CIFC36 H23 B F20 O4I 41/a :234.2576; 34.2576; 13.1525
90; 90; 90
15435.6Zhang, Yuetao; Chen, Eugene Y.-X.
Structure−Reactivity Relationships in Bimolecular-Activated Monomer Polymerization of (Meth)acrylates Using Oxidatively Activated Group 14 Ketene Acetals
Macromolecules, 2008, 41, 6353
1504440 CIFC16 H50 B20 O Si2P 1 21/c 110.1206; 7.6885; 22.513
90; 102.546; 90
1709.96González-Campo, Arántzazu; Juárez-Pérez, Emilio José; Viñas, Clara; Boury, Bruno; Sillanpää, Reijo; Kivekäs, Raikko; Núñez, Rosario
Carboranyl Substituted Siloxanes and Octasilsesquioxanes: Synthesis, Characterization, and Reactivity
Macromolecules, 2008, 41, 8458
1504441 CIFC28 H64 N3 O P2 S2 Si2 YP 1 21/c 118.0407; 10.65; 20.3838
90; 100.558; 90
3850.1Hodgson, Linda M.; Platel, Rachel H.; White, Andrew J. P.; Williams, Charlotte K.
A Series of Bis(thiophosphinic amido)yttrium Initiators for Lactide Ring-Opening Polymerization
Macromolecules, 2008, 41, 8603
1504442 CIFC56 H70 N4 O4P 1 21/c 111.6721; 19.915; 21.9484
90; 102.584; 90
4979.34Nikiforov, Maxim P.; Zerweck, Ulrich; Milde, Peter; Loppacher, Christian; Park, Tae-Hong; Uyeda, H. Tetsuo; Therien, Michael J.; Eng, Lukas; Bonnell, Dawn
The effect of molecular orientation on the potential of porphyrin-metal contacts.
Nano letters, 2008, 8, 110-113
1504443 CIFC19 H20 O6P 21 21 217.5554; 9.0441; 22.351
90; 90; 90
1527.3Fotso, Serge; Mahmud, Taifo; Zabriskie, T. Mark; Santosa, Dwi Andreas; Sulastri,; Proteau, Philip J.
Angucyclinones from an Indonesian Streptomyces sp.
Journal of natural products, 2008, 71, 61-65
1504444 CIFC33.5 H54 O7C 1 2 132.341; 8.429; 12.051
90; 95.82; 90
3268Chen, Jian-Jun; Fei, Dong-Qing; Chen, Sheng-Gao; Gao, Kun
Antimicrobial triterpenoids from Vladimiria muliensis.
Journal of natural products, 2008, 71, 547-550
1504445 CIFC20 H30 O5P 1 21 17.544; 6.066; 20.579
90; 99.92; 90
927.7Yan, Ren-Yi; Tan, Yong-Xia; Cui, Xi-Qiang; Chen, Ruo-Yun; Yu, De-Quan
Diterpenoids from the roots of Suregada glomerulata.
Journal of natural products, 2008, 71, 195-198
1504446 CIFC20 H30 O4P 21 21 2112.1841; 14.0401; 20.8894
90; 90; 90
3573.47Chou, Bo-Hon; Yang, Li-Ming; Chang, Shwu-Fen; Hsu, Feng-Lin; Lo, Chia-Hsin; Liaw, Jia-Horng; Liu, Pan-Chun; Lin, Shwu-Jiuan
Microbial transformation of isosteviol lactone and evaluation of the transformation products on androgen response element.
Journal of natural products, 2008, 71, 602-607

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