Crystallography Open Database

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1506753 CIFC52 H52 N6 O5 SP -113.8696; 13.8755; 13.9159
85.57; 60.812; 83.295
2321.4Sessler, Jonathan L.; Roznyatovskiy, Vladimir; Pantos, G. Dan; Borisova, Natalya E.; Reshetova, Marina D.; Lynch, Vincent M.; Khrustalev, Victor N.; Ustynyuk, Yuri A.
Synthesis and anion binding properties of 2,5-diamidothiophene polypyrrole Schiff base macrocycles.
Organic letters, 2005, 7, 5277-5280
1506754 CIFC97 H89 Cl3 N12 O4 S2P -111.4304; 18.0089; 21.9615
100.204; 104.918; 99.903
4185.25Sessler, Jonathan L.; Roznyatovskiy, Vladimir; Pantos, G. Dan; Borisova, Natalya E.; Reshetova, Marina D.; Lynch, Vincent M.; Khrustalev, Victor N.; Ustynyuk, Yuri A.
Synthesis and anion binding properties of 2,5-diamidothiophene polypyrrole Schiff base macrocycles.
Organic letters, 2005, 7, 5277-5280
1506755 CIFC54 H56 N6 O4 SP -111.1606; 15.0164; 16.1627
75.206; 71.898; 69.268
2375.54Sessler, Jonathan L.; Roznyatovskiy, Vladimir; Pantos, G. Dan; Borisova, Natalya E.; Reshetova, Marina D.; Lynch, Vincent M.; Khrustalev, Victor N.; Ustynyuk, Yuri A.
Synthesis and anion binding properties of 2,5-diamidothiophene polypyrrole Schiff base macrocycles.
Organic letters, 2005, 7, 5277-5280
1506756 CIFC28 H21 N O SP 1 21/c 114.368; 9.905; 16.546
90; 111.17; 90
2195.8Alajarín, Mateo; Ortín, María-Mar; Sánchez-Andrada, Pilar; Vidal, Angel; Bautista, Delia
From ketenimines to ketenes to quinolones: two consecutive pseudopericyclic events.
Organic letters, 2005, 7, 5281-5284
1506757 CIFC82 H150 F10 N8 O S3P 1 21/n 122.577; 20.294; 37.95
90; 92.06; 90
17377Rath, Harapriya; Sankar, Jeyaraman; PrabhuRaja, Viswanathan; Chandrashekar, Tavarekere K.; Joshi, Bhawani S.
Aromatic core-modified twisted heptaphyrins[1.1.1.1.1.1.0]: syntheses and structural characterization.
Organic letters, 2005, 7, 5445-5448
1506758 CIFC30 H25 NP 1 21/n 117.979; 10.718; 11.977
90; 104.943; 90
2229.9Kanno, Ken-ichiro; Liu, Yuanhong; Iesato, Atsushi; Nakajima, Kiyohiko; Takahashi, Tamotsu
Chromium-mediated synthesis of polycyclic aromatic compounds from halobiaryls.
Organic letters, 2005, 7, 5453-5456
1506759 CIFC19 H19 N O2P b c a10.162; 11.205; 27.271
90; 90; 90
3105.2Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen
Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.
Organic letters, 2005, 7, 5293-5296
1506760 CIFC20 H16 N2P -18.829; 8.999; 20.21
78.48; 88.69; 84.74
1566.7Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen
Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.
Organic letters, 2005, 7, 5293-5296
1506761 CIFC21 H16 Cl N3 O2P 21 21 219.153; 12.666; 15.801
90; 90; 90
1831.8Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen
Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.
Organic letters, 2005, 7, 5293-5296
1506762 CIFC22 H19 N3 O3P 1 21/c 17.074; 15.601; 17.909
90; 91.76; 90
1975.5Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen
Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.
Organic letters, 2005, 7, 5293-5296
1506763 CIFC17 H25 N O5C 1 2/c 121.0502; 8.8331; 18.6791
90; 107.3; 90
3316Denmark, Scott E.; Baiazitov, Ramil Y.
Intramolecular [4 + 2] cycloaddition of nitroalkenes for construction of vicinal quaternary stereocenters.
Organic letters, 2005, 7, 5617-5620
1506764 CIFC17 H25 N O5P 1 21/n 110.5451; 14.2808; 10.7325
90; 90.125; 90
1616.23Denmark, Scott E.; Baiazitov, Ramil Y.
Intramolecular [4 + 2] cycloaddition of nitroalkenes for construction of vicinal quaternary stereocenters.
Organic letters, 2005, 7, 5617-5620
1506765 CIFC61 H64 B2 S2P -18.0399; 14.829; 22.669
105.23; 100.18; 93.56
2549.9Liu, Zhi-Qiang; Shi, Mei; Li, Fu-You; Fang, Qi; Chen, Zhang-Hai; Yi, Tao; Huang, Chun-Hui
Highly selective two-photon chemosensors for fluoride derived from organic boranes.
Organic letters, 2005, 7, 5481-5484
1506766 CIFC34 H40 Fe2 N2 O4P 21 21 219.686; 23.733; 25.31
90; 90; 90
5818Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi
Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.
Organic letters, 2005, 7, 5809-5812
1506767 CIFC34 H40 Fe2 N2 O4P 1 21 112.647; 11.666; 20.496
90; 95.638; 90
3009.3Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi
Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.
Organic letters, 2005, 7, 5809-5812
1506768 CIFC30 H40 Fe2 N2 O2P 21 21 2111.484; 12.169; 18.868
90; 90; 90
2637Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi
Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.
Organic letters, 2005, 7, 5809-5812
1506769 CIFC16 H8 Se4P 1 21/a 112.632; 7.864; 14.964
90; 101.258; 90
1457.9Okamoto, Toshihiro; Kudoh, Kenichi; Wakamiya, Atsushi; Yamaguchi, Shigehiro
General synthesis of thiophene and selenophene-based heteroacenes.
Organic letters, 2005, 7, 5301-5304
1506770 CIFC16 H8 S3P n m a7.933; 26.589; 5.906
90; 90; 90
1245.8Okamoto, Toshihiro; Kudoh, Kenichi; Wakamiya, Atsushi; Yamaguchi, Shigehiro
General synthesis of thiophene and selenophene-based heteroacenes.
Organic letters, 2005, 7, 5301-5304
1506771 CIFC13 H15 N O4P -111.014; 13.147; 4.8355
95.35; 97.18; 113.337
629.98Minami, Kimi; Kawamura, Yasufumi; Koga, Koichi; Hosokawa, Takahiro
Palladium(II)-catalyzed oxidative transformation of allylic alcohols and vinyl ethers into 2-alkoxytetrahydrofurans: catechol as an activator of catalyst.
Organic letters, 2005, 7, 5689-5692
1506772 CIFC16 H19 N O5C 1 2/c 119.238; 12.755; 15.148
90; 124.62; 90
3058.9Minami, Kimi; Kawamura, Yasufumi; Koga, Koichi; Hosokawa, Takahiro
Palladium(II)-catalyzed oxidative transformation of allylic alcohols and vinyl ethers into 2-alkoxytetrahydrofurans: catechol as an activator of catalyst.
Organic letters, 2005, 7, 5689-5692
1506773 CIFC18 H26 N2 O3P -17.6022; 9.2365; 12.431
102.263; 96.458; 100.565
828.02Sales, Marcelo; Charette, André B
A Diels-Alder approach to the stereoselective synthesis of 2,3,5,6-tetra- and 2,3,4,5,6-pentasubstituted piperidines.
Organic letters, 2005, 7, 5773-5776
1506774 CIFC24 H33 N O4C 1 c 110.685; 24.806; 8.872
90; 108.68; 90
2227.7Sales, Marcelo; Charette, André B
A Diels-Alder approach to the stereoselective synthesis of 2,3,5,6-tetra- and 2,3,4,5,6-pentasubstituted piperidines.
Organic letters, 2005, 7, 5773-5776
1506775 CIFC27 H60 O Si3P 1 21 19.2671; 14.343; 12.2312
90; 95.604; 90
1618Cleary, Pamela A.; Woerpel, K. A.
Metal-catalyzed rearrangement of homoallylic ethers to silylmethyl allylic silanes in the presence of a Di-tert-butylsilylene source.
Organic letters, 2005, 7, 5531-5533
1506776 CIFC27 H20 O6P 1 21/c 115.45; 9.102; 15.6427
90; 109.702; 90
2071Lumb, Jean-Philip; Trauner, Dirk
Pericyclic reactions of prenylated naphthoquinones: biomimetic syntheses of mollugin and microphyllaquinone.
Organic letters, 2005, 7, 5865-5868
1506777 CIFC27 H19 O6P -18.798; 9.098; 13.336
85.941; 80.845; 88.91
1051.2Lumb, Jean-Philip; Trauner, Dirk
Pericyclic reactions of prenylated naphthoquinones: biomimetic syntheses of mollugin and microphyllaquinone.
Organic letters, 2005, 7, 5865-5868
1506778 CIFC28 H31 Br O3 SiC 1 2/c 130.718; 6.6546; 26.833
90; 105.942; 90
5274.1Sasaki, Michiko; Higashi, Mariko; Masu, Hyuma; Yamaguchi, Kentaro; Takeda, Kei
Asymmetric [2,3]-Wittig rearrangement induced by a chiral carbanion whose chirality was transferred from an epoxide.
Organic letters, 2005, 7, 5913-5915
1506779 CIFC40 H41 Cl10 N2 O2 Rh SP 21 21 2114.219; 17.256; 19.305
90; 90; 90
4737Matharu, Daljit S.; Morris, David J.; Kawamoto, Aparecida M.; Clarkson, Guy J.; Wills, Martin
A stereochemically well-defined rhodium(III) catalyst for asymmetric transfer hydrogenation of ketones.
Organic letters, 2005, 7, 5489-5491
1506780 CIFC14 H19 N O3P 1 21/c 16.3947; 9.4295; 21.418
90; 96.469; 90
1283.26Lam, Hon Wai; Murray, Gordon J.; Firth, James D.
Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.
Organic letters, 2005, 7, 5743-5746
1506781 CIFC19 H21 N O3P 1 21/c 120.693; 5.8798; 13.1078
90; 98.577; 90
1577Lam, Hon Wai; Murray, Gordon J.; Firth, James D.
Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.
Organic letters, 2005, 7, 5743-5746
1506782 CIFC15 H21 N O3P 1 21/c 120.3081; 6.8444; 10.4444
90; 98.961; 90
1434.02Lam, Hon Wai; Murray, Gordon J.; Firth, James D.
Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.
Organic letters, 2005, 7, 5743-5746
1506783 CIFC20 H23 N O3P 1 21/c 120.655; 6.0188; 13.3363
90; 97.128; 90
1645.13Lam, Hon Wai; Murray, Gordon J.; Firth, James D.
Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.
Organic letters, 2005, 7, 5743-5746
1506784 CIFC17 H23 N O5P 21 21 216.4784; 9.8027; 26.807
90; 90; 90
1702.4Lam, Hon Wai; Murray, Gordon J.; Firth, James D.
Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.
Organic letters, 2005, 7, 5743-5746
1506785 CIFC20 H27 N O5P 1 21 16.5512; 17.231; 8.6956
90; 104.558; 90
950.1Lam, Hon Wai; Murray, Gordon J.; Firth, James D.
Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.
Organic letters, 2005, 7, 5743-5746
1506786 CIFC13 H20 O2P 21 21 219.757; 10.425; 11.465
90; 90; 90
1166.2Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis
Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.
Organic letters, 2005, 7, 5921-5923
1506787 CIFC31 H36 O6P -16.444; 11.881; 17.404
104.598; 90.33; 93.691
1286.4Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis
Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.
Organic letters, 2005, 7, 5921-5923
1506788 CIFC20 H28 O3P n a 2111.07; 18.754; 8.287
90; 90; 90
1720.4Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis
Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.
Organic letters, 2005, 7, 5921-5923
1506789 CIFC21 H21 N O2 SP 1 21/n 18.879; 9.416; 22.361
90; 95.98; 90
1859.3Frigoli, Samuele; Fuganti, Claudio; Malpezzi, Luciana; Serra, Stefano
A Practical and Efficient Process for the Preparation of Tazarotene
Organic Process Research & Development, 2005, 9, 646
1506790 CIFC15 H16 N2 O3P 1 21/c 110.066; 28.719; 4.831
90; 103.45; 90
1358.3Harris, Robin K.; Ghi, Phuong Y.; Puschmann, Horst; Apperley, David C.; Griesser, Ulrich J.; Hammond, Robert B.; Ma, Caiyun; Roberts, Kevin J.; Pearce, Greg J.; Yates, Jonathan R.; Pickard, Chris J.
Structural Studies of the Polymorphs of Carbamazepine, Its Dihydrate, and Two Solvates
Organic Process Research & Development, 2005, 9, 902
1506791 CIFC21 H19 Cl2 N O3P 21 21 216.1214; 10.1587; 31.893
90; 90; 90
1983.3Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.
Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.
Chemical research in toxicology, 2005, 18, 516-527
1506792 CIFC21 H19 Cl2 N O3P 21 21 216.1223; 10.1589; 31.893
90; 90; 90
1983.6Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.
Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.
Chemical research in toxicology, 2005, 18, 516-527
1506793 CIFC24 H22 Cl N O3P 21 21 215.7009; 18.4406; 19.793
90; 90; 90
2080.8Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.
Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.
Chemical research in toxicology, 2005, 18, 516-527
1506794 CIFC23 H30 O11 P2P 1 21/n 17.8919; 14.421; 23.706
90; 96.36; 90
2681.4Chen, Xiao-Lan; Qu, Ling-Bo; Zhang, Ting; Liu, Hong-Xia; Yu, Fei; Yu, Youzhu; Liao, Xincheng; Zhao, Yu-Fen
The nature of phosphorylated chrysin-protein interactions involved in noncovalent complex formation by electrospray ionization mass spectroscopy.
Analytical chemistry, 2004, 76, 211-217
1506795 CIFC14 H19 N O4 SP 1 21 16.1115; 13.323; 8.8714
90; 93.246; 90
721.2Kawulka, Karen E.; Sprules, Tara; Diaper, Christopher M.; Whittal, Randy M.; McKay, Ryan T.; Mercier, Pascal; Zuber, Peter; Vederas, John C.
Structure of subtilosin A, a cyclic antimicrobial peptide from Bacillus subtilis with unusual sulfur to alpha-carbon cross-links: formation and reduction of alpha-thio-alpha-amino acid derivatives.
Biochemistry, 2004, 43, 3385-3395
1506796 CIFC21 H17 F12 N5 O2 P2P -113.4948; 13.8511; 23.133
93.354; 100.455; 119.018
3664Phillips, Tim; Haq, Ihtshamul; Meijer, Anthony J. H. M.; Adams, Harry; Soutar, Ian; Swanson, Linda; Sykes, Matthew J.; Thomas, Jim A.
DNA binding of an organic dppz-based intercalator.
Biochemistry, 2004, 43, 13657-13665
1506797 CIFC19 H14 N4 OP 1 21/n 14.5905; 12.887; 25.03
90; 95.149; 90
1474.7Phillips, Tim; Haq, Ihtshamul; Meijer, Anthony J. H. M.; Adams, Harry; Soutar, Ian; Swanson, Linda; Sykes, Matthew J.; Thomas, Jim A.
DNA binding of an organic dppz-based intercalator.
Biochemistry, 2004, 43, 13657-13665
1506798 CIFC37 H57 Al N2 O2P 1 21/n 110.135; 17.391; 20.788
90; 98.25; 90
3626.1Tang, Zhaohui; Chen, Xuesi; Pang, Xuan; Yang, Yongkun; Zhang, Xuefei; Jing, Xiabin
Stereoselective Polymerization ofrac-Lactide Using a Monoethylaluminum Schiff Base Complex
Biomacromolecules, 2004, 5, 965
1506799 CIFC16 H14 N2 SP -111.3899; 12.0714; 17.4959
87.675; 72.756; 65.371
2078.9Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin
Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels
Journal of Combinatorial Chemistry, 2004, 6, 928
1506800 CIFC13 H16 N2 O SP 1 21/n 112.7346; 6.0351; 16.4
90; 99.31; 90
1243.8Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin
Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels
Journal of Combinatorial Chemistry, 2004, 6, 928
1506801 CIFC23 H18 N2 OP 21 21 215.2746; 16.1821; 20.485
90; 90; 90
1748.48Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin
Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels
Journal of Combinatorial Chemistry, 2004, 6, 928
1506802 CIFC14 H12 N4 O4 SP b c a8.11; 17.9243; 21.3183
90; 90; 90
3099Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin
Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels
Journal of Combinatorial Chemistry, 2004, 6, 928
1506803 CIFC14 H12 O3P 1 21/c 14.3791; 9.2158; 26.681
90; 92.748; 90
1075.5Caruso, Francesco; Tanski, Joseph; Villegas-Estrada, Adriel; Rossi, Miriam
Structural basis for antioxidant activity of trans-resveratrol: ab initio calculations and crystal and molecular structure.
Journal of agricultural and food chemistry, 2004, 52, 7279-7285
1506804 CIFC19 H27 F N2 O3P 21 21 219.907; 10.077; 19.678
90; 90; 90
1964.51Saitton, Stina; Del Tredici, Andria L.; Mohell, Nina; Vollinga, Roeland C.; Boström, Dan; Kihlberg, Jan; Luthman, Kristina
Design, synthesis and evaluation of a PLG tripeptidomimetic based on a pyridine scaffold.
Journal of medicinal chemistry, 2004, 47, 6595-6602
1506805 CIFC18 H19 N O4P 1 21/c 19.0694; 22.47; 8.1591
90; 97.872; 90
1647.1Grabowski, Sławomir J.; Pfitzner, Arno; Zabel, Manfred; Dubis, Alina T.; Palusiak, Marcin
Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives
The Journal of Physical Chemistry B, 2004, 108, 1831
1506806 CIFC19 H21 N O4P 1 21/c 18.9277; 23.583; 8.1672
90; 98.186; 90
1702.02Grabowski, Sławomir J.; Pfitzner, Arno; Zabel, Manfred; Dubis, Alina T.; Palusiak, Marcin
Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives
The Journal of Physical Chemistry B, 2004, 108, 1831
1506807 CIFC8 H20 Cl Li O8C 1 2/c 113.147; 8.9501; 12.378
90; 108.09; 90
1384.5Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G.
LiClO4Electrolyte Solvate Structures
The Journal of Physical Chemistry A, 2004, 108, 225
1506808 CIFC12 H28 Cl Li O10P c c n31.229; 12.075; 15.127
90; 90; 90
5704.2Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G.
LiClO4Electrolyte Solvate Structures
The Journal of Physical Chemistry A, 2004, 108, 225
1506809 CIFC18 H19 N4 O2P c a 2113.515; 11.858; 10.593
90; 90; 90
1697.6Nagashima, Hideaki; Inoue, Hidenari; Yoshioka, Naoki
An Ideal One-Dimensional Antiferromagnetic Spin System Observed in Hydrogen-Bonded Naphth[2,3-d]imidazol-2-yl Nitronyl Nitroxide Crystal: The Role of the Hydrogen Bond.
The journal of physical chemistry. B, 2004, 108, 6144-6151
1506810 CIFC46 H54 N14 Ni O8P -113.181; 13.563; 14.545
91.87; 96.19; 110.94
2407.3Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack
Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins
The Journal of Physical Chemistry B, 2004, 108, 2173
1506811 CIFC48 H58 N14 Ni O8P 1 21/n 114.351; 22.677; 15.373
90; 103.05; 90
4873.7Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack
Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins
The Journal of Physical Chemistry B, 2004, 108, 2173
1506812 CIFC43 H50 Cl2 N12 Ni O8P -112.795; 13.686; 15.496
107.75; 104.22; 106.73
2303.7Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack
Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins
The Journal of Physical Chemistry B, 2004, 108, 2173
1506813 CIFC54 H52 N14 Ni O8 Se3P 1 21/c 118.917; 23.658; 12.853
90; 105.1; 90
5553.6Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack
Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins
The Journal of Physical Chemistry B, 2004, 108, 2173
1506814 CIFC3 H5 Cl2 N OP n m a9.4889; 8.3221; 7.718
90; 90; 90
609.47Hinchley, Sarah L.; Robertson, Heather E.; McLachlan, Lorna J.; Morrison, Carole A.; Rankin, David W. H.; Simpson, Stephen J.; Thomas, Emrys W.
Conformational Analysis with Both Experimental and Computational Data for Both Gaseous and Crystalline Phases: Unexpected Interactions inN-Methyldichloroacetamide
The Journal of Physical Chemistry A, 2004, 108, 185
1506815 CIFC10 H8 N4 SP 1 21/c 17.252; 22.588; 13.668
90; 103.53; 90
2176.8Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.
Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†
The Journal of Physical Chemistry B, 2004, 108, 8531
1506816 CIFC12 H11 N5 SP 1 21/c 16.631; 28.084; 7.325
90; 90.12; 90
1364.1Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.
Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†
The Journal of Physical Chemistry B, 2004, 108, 8531
1506817 CIFC10 H8 N4 SP 1 21 16.894; 12.355; 13.064
90; 102.27; 90
1087.3Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.
Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†
The Journal of Physical Chemistry B, 2004, 108, 8531
1506818 CIFC9 H7 N4 O1.5F d d 224.447; 40.453; 3.815
90; 90; 90
3772.9Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.
Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†
The Journal of Physical Chemistry B, 2004, 108, 8531
1506819 CIFC13 H9 N5P n a 2110.208; 22.983; 5.041
90; 90; 90
1182.7Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.
Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†
The Journal of Physical Chemistry B, 2004, 108, 8531
1506820 CIFC19 H15 N5P 1 21/c 18.437; 11.525; 16.874
90; 101.16; 90
1609.7Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.
Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†
The Journal of Physical Chemistry B, 2004, 108, 8531
1506821 CIFC36 H43 Fe2 N6 O4 S2P 1 21 111.8218; 17.0636; 18.9362
90; 98.624; 90
3776.7Bediako-Amoa, Irene; Sutherland, Todd C.; Li, Chen-Zhong; Silerova, Roberta; Kraatz, Heinz-Bernhard
Electrochemical and Surface Study of Ferrocenoyl Oligopeptides
The Journal of Physical Chemistry B, 2004, 108, 704
1506822 CIFC16 F8 N4P b c a10.411; 13.338; 21.948
90; 90; 90
3047.7Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B.
Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile
The Journal of Physical Chemistry B, 2004, 108, 3663
1506823 CIFC8 F4 N2P 21 21 215.655; 10.644; 12.35
90; 90; 90
743.37Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B.
Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile
The Journal of Physical Chemistry B, 2004, 108, 3663
1506824 CIFC33 H36 N3 O3.5 P0.5 Tb0.5P -112.049; 13.986; 18.529
96.74; 104.78; 90.23
2996.4Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui
The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes
The Journal of Physical Chemistry B, 2004, 108, 10796
1506825 CIFC61 H66 Cl3 N8 O6 TbP -112.8867; 13.9288; 19.09
69.13; 77.076; 65.411
2899.9Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui
The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes
The Journal of Physical Chemistry B, 2004, 108, 10796
1506826 CIFC48 H59 N6 O7 TbP 1 21/c 115.4491; 23.7237; 15.08
90; 118.064; 90
4877.1Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui
The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes
The Journal of Physical Chemistry B, 2004, 108, 10796
1506827 CIFC9 H10 N O3P 1 21/c 18.8436; 5.3476; 18.839
90; 99.62; 90
878.4Jian, Fang F.; Zhao, Pu S.; Yu, Qing; Wang, Qing X.; Jiao, Kui
Density Functional Calculations, Synthesis, and Characterization on Two Novel Quadruple Hydrogen-Bonded Supramolecular Complexes
The Journal of Physical Chemistry A, 2004, 108, 5258
1506828 CIFC33 H28 B N O2P 1 21/n 110.4104; 9.5076; 26.2207
90; 95.623; 90
2582.8Yu, Jen-Kan; Cheng, Yi-Ming; Hu, Ya-Hui; Chou, Pi-Tai; Chen, Yao-Lun; Lee, Shin-Wun; Chi, Yun
Probing Triplet State Properties of Organic Chromophores via Design and Synthesis of Os(II)-Diketonate Complexes: The Triplet State Intramolecular Charge Transfer
The Journal of Physical Chemistry B, 2004, 108, 19908
1506829 CIFC S2C m c a6.0381; 5.351; 8.359
90; 90; 90
270.1Dziubek, Kamil F.; Katrusiak, Andrzej
Compression of Intermolecular Interactions in CS2Crystal
The Journal of Physical Chemistry B, 2004, 108, 19089
1506830 CIFC S2C m c a5.8154; 5.215; 8.0463
90; 90; 90
244Dziubek, Kamil F.; Katrusiak, Andrzej
Compression of Intermolecular Interactions in CS2Crystal
The Journal of Physical Chemistry B, 2004, 108, 19089
1506831 CIFC18 H22 N5 O3P -16.978; 14.5287; 20.0342
78.023; 75.2; 78
1895Shiomi, Daisuke; Nozaki, Mikito; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji
Cytosine-Substituted Nitronylnitroxide Radical: A Key Component for Bio-Inspired Molecule-Based Magnetics
The Journal of Physical Chemistry B, 2004, 108, 16606
1506832 CIFC6 H16 N12 O7 P2P -110.8932; 11.2079; 6.8424
104.969; 101.473; 83.805
789.501Brodski, Vladimir; Peschar, René; Schenk, Henk; Brinkmann, Andreas; van Eck, Ernst R. H.; Kentgens, Arno P. M.; Coussens, Betty; Braam, Ad
Structure of Melaminium Dihydrogenpyrophosphate and Its Formation from Melaminium Dihydrogenphosphate Studied with Powder Diffraction Data, Solid-State NMR, and Theoretical Calculations
The Journal of Physical Chemistry B, 2004, 108, 15069
1506833 CIFC8 H8 N2 O10P -15.4385; 6.3885; 8.6809
98.381; 107.406; 105.573
268.72Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.
Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array
The Journal of Physical Chemistry A, 2004, 108, 9406
1506834 CIFC8 H8 N2 O10P -15.4606; 6.4133; 8.7164
98.962; 107.408; 105.348
271.57Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.
Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array
The Journal of Physical Chemistry A, 2004, 108, 9406
1506835 CIFC8 H8 N2 O10P -15.4361; 6.3699; 8.6672
97.911; 107.546; 105.718
267.48Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.
Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array
The Journal of Physical Chemistry A, 2004, 108, 9406
1506836 CIFC8 H8 N2 O10P -15.495; 6.441; 8.767
99.393; 107.565; 105.174
275.44Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.
Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array
The Journal of Physical Chemistry A, 2004, 108, 9406
1506837 CIFC6 H8 N2 O6C 1 2/c 15.347; 13.0286; 11.7443
90; 99.036; 90
808Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.
Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array
The Journal of Physical Chemistry A, 2004, 108, 9406
1506838 CIFC7 H8 N2 O8P -15.283; 6.6497; 13.8423
93.064; 90.513; 103.009
473.02Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.
Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array
The Journal of Physical Chemistry A, 2004, 108, 9406
1506839 CIFC22 H24 F9 N O SP 1 21/a 118.849; 5.5418; 22.618
90; 96.956; 90
2345.2Smith, Jeremy A.; DiStasio, Robert A.; Hannah, Nicole A.; Winter, Rolf W.; Weakley, Timothy J. R.; Gard, Gary L.; Rananavare, Shankar B.
SF5-Terminated Fluorinated Schiff Base Liquid Crystals
The Journal of Physical Chemistry B, 2004, 108, 19940
1506840 CIFC12 H52 Al2 N8 O21 P4P b c a17.6569; 15.4289; 25.5819
90; 90; 90
6969.2Loiseau, Thierry; Beitone, Lionel; Millange, Franck; Taulelle, Francis; O'Hare, Dermot; Férey, Gérard
Observation and Reactivity of the Chainlike Species ([Al(PO4)2]3-)nduring the X-ray Diffraction Investigation of the Hydrothermal Synthesis of the Super-sodalite Sodium Aluminophosphate MIL-74 (Na2Al7(PO4)12·4trenH3·Na(H2O)16)
The Journal of Physical Chemistry B, 2004, 108, 20020
1506841 CIFC24 H116 Al7 Li3 N16 O64 P12I -4 3 m16.6607; 16.6607; 16.6607
90; 90; 90
4624.66Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard
Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga)
The Journal of Physical Chemistry B, 2004, 108, 20011
1506842 CIFC24 H116 Ga7 Li3 N16 O64 P12I -4 3 m16.8395; 16.8395; 16.8395
90; 90; 90
4775.16Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard
Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga)
The Journal of Physical Chemistry B, 2004, 108, 20011
1506843 CIFC24 H116 Al7 N16 Na3 O64 P12I -4 3 m16.7444; 16.7444; 16.7444
90; 90; 90
4694.71Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard
Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga)
The Journal of Physical Chemistry B, 2004, 108, 20011
1506844 CIFC30 H26 O4P 1 21/c 113.2938; 7.32; 12.7067
90; 103.61; 90
1201.8Zhang, Haiquan; Yang, Bing; Zheng, Yan; Yang, Guangdi; Ye, Ling; Ma, Yuguang; Chen, Xinfang; Cheng, Gang; Liu, Shiyong
New Biphenyl Derivative with Planar Phenyl−Phenyl Conformation in Crystal at Room Temperature Exhibits Highly Efficient UV Light-Emitting
The Journal of Physical Chemistry B, 2004, 108, 9571
1506845 CIFC22 H24 N2P 1 21/n 18.062; 14.302; 7.977
90; 103.46; 90
894.5Nishiumi, Toyohiko; Nomura, Yasuhiro; Chimoto, Yuya; Higuchi, Masayoshi; Yamamoto, Kimihisa
The Class II/III Transition Electron Transfer on an Infrared Vibrational Time Scale forN,N‘-Diphenyl-1,4-phenylenediamine Structures
The Journal of Physical Chemistry B, 2004, 108, 7992
1506846 CIFC56 H76 P2 PtP -110.0075; 10.7197; 12.8122
101.67; 109.882; 95.533
1245.28Haskins-Glusac, Ksenija; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.
Photophysics and Photochemistry of Stilbene-Containing Platinum Acetylides
The Journal of Physical Chemistry B, 2004, 108, 4969
1506847 CIFC20 H36 N Na O8P 1 21 18.6816; 4.8578; 26.25
90; 91.46; 90
1106.7Masuda, Mitsutoshi; Shimizu, Toshimi
Lipid Nanotubes and Microtubes: Experimental Evidence for Unsymmetrical Monolayer Membrane Formation from Unsymmetrical Bolaamphiphiles
Langmuir, 2004, 20, 5969
1506848 CIFC50 H34 Cl4 N5 RhP 21 21 2117.547; 25.181; 9.817
90; 90; 90
4337.7Ikeda, Taichi; Asakawa, Masumi; Goto, Midori; Miyake, Koji; Ishida, Takao; Shimizu, Toshimi
STM Observation of Alkyl-Chain-Assisted Self-Assembled Monolayers of Pyridine-Coordinated Porphyrin Rhodium Chlorides
Langmuir, 2004, 20, 5454
1506849 CIFC9 H10 N2 O S3P -17.3568; 9.8242; 15.334
87.701; 87.867; 87.491
1105.6Hu, Jun; Liu, Yubiao; Khemtong, Chalermchai; El Khoury, Jouliana M.; McAfoos, Timothy J.; Taschner, Ian S.
Photochemical Patterning of a Self-Assembled Monolayer of 7-Diazomethylcarbonyl-2,4,9-trithiaadmantane on Gold Films via Wolff Rearrangement
Langmuir, 2004, 20, 4933
1506850 CIFC88 H108 F8 N8 O4 S16P -110.3053; 15.147; 17.1861
101.277; 106.609; 103.697
2395.7Akutagawa, Tomoyuki; Kakiuchi, Keiko; Hasegawa, Tatsuo; Nakamura, Takayoshi; Christensen, Christian A.; Becher, Jan
Langmuir−Blodgett Films of Amphiphilic Bis(tetrathiafulvalene) Macrocycles with Four Alkyl Chains
Langmuir, 2004, 20, 4187
1506851 CIFC28 H14 Cl2 F10 N2 O2 ZrP 1 21/c 113.1; 16.206; 14.737
90; 110.651; 90
2927.6Lamberti, Marina; Gliubizzi, Rocco; Mazzeo, Mina; Tedesco, Consiglia; Pellecchia, Claudio
Bis(phenoxyimine)zirconium and -titanium Catalysts Affording Prevailingly Syndiotactic Polypropylenes via Opposite Modes of Monomer Insertion†
Macromolecules, 2004, 37, 276
1506852 CIFC26 H20 N2P 1 21/n 114.121; 5.579; 12.938
90; 113.76; 90
932.9Nishiumi, Toyohiko; Chimoto, Yuya; Hagiwara, Yuki; Higuchi, Masayoshi; Yamamoto, Kimihisa
First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion
Macromolecules, 2004, 37, 2661

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