Crystallography Open Database
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Result: there are 52 entries in the selection
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Searching journal of publication like 'The Journal of Physical Chemistry B'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1506829 | CIF | C S2 | C m c a | 6.0381; 5.351; 8.359 90; 90; 90 | 270.1 | Dziubek, Kamil F.; Katrusiak, Andrzej Compression of Intermolecular Interactions in CS2Crystal The Journal of Physical Chemistry B, 2004, 108, 19089 |
| 1506830 | CIF | C S2 | C m c a | 5.8154; 5.215; 8.0463 90; 90; 90 | 244 | Dziubek, Kamil F.; Katrusiak, Andrzej Compression of Intermolecular Interactions in CS2Crystal The Journal of Physical Chemistry B, 2004, 108, 19089 |
| 1506815 | CIF | C10 H8 N4 S | P 1 21/c 1 | 7.252; 22.588; 13.668 90; 103.53; 90 | 2176.8 | Nesterov, 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 | CIF | C10 H8 N4 S | P 1 21 1 | 6.894; 12.355; 13.064 90; 102.27; 90 | 1087.3 | Nesterov, 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 |
| 1507493 | CIF | C11 H22 F3 Na O8 S | P 1 21/c 1 | 15.3093; 9.6185; 12.6945 90; 107.549; 90 | 1782.3 | Rhodes, Christopher P.; Khan, Masood; Frech, Roger Crystalline Phases of Poly(Ethylene Oxide) Oligomers and Sodium Triflate: Changes in Coordination and Conformation with Chain Length The Journal of Physical Chemistry B, 2002, 106, 10330 |
| 1506816 | CIF | C12 H11 N5 S | P 1 21/c 1 | 6.631; 28.084; 7.325 90; 90.12; 90 | 1364.1 | Nesterov, 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 |
| 1506840 | CIF | C12 H52 Al2 N8 O21 P4 | P b c a | 17.6569; 15.4289; 25.5819 90; 90; 90 | 6969.2 | Loiseau, 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 |
| 1506819 | CIF | C13 H9 N5 | P n a 21 | 10.208; 22.983; 5.041 90; 90; 90 | 1182.7 | Nesterov, 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 |
| 1507229 | CIF | C15 H16 O2 | P 1 21/n 1 | 17.95; 18.879; 11.2281 90; 100.7; 90 | 3738.8 | Wolak, J. E.; Knutson, J.; Martin, J. D.; Boyle, P.; Sargent, Andrew L.; White, Jeffery L. Dynamic Disorder and Conformer Exchange in the Crystalline Monomer of Polycarbonate The Journal of Physical Chemistry B, 2003, 107, 13293 |
| 1506822 | CIF | C16 F8 N4 | P b c a | 10.411; 13.338; 21.948 90; 90; 90 | 3047.7 | Hibbs, 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 |
| 1506805 | CIF | C18 H19 N O4 | P 1 21/c 1 | 9.0694; 22.47; 8.1591 90; 97.872; 90 | 1647.1 | Grabowski, 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 |
| 1506831 | CIF | C18 H22 N5 O3 | P -1 | 6.978; 14.5287; 20.0342 78.023; 75.2; 78 | 1895 | Shiomi, 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 |
| 1559420 | CIF | C18 H30 O3 | P -1 | 6.8022; 9.2501; 15.7435 73.83; 83.495; 69.502 | 891.03 | Shkrob, Ilya A.; Li, Tao; Sarnello, Erik; Robertson, Lily A.; Zhao, Yuyue; Farag, Hossam; Yu, Zhou; Zhang, Jingjing; Bheemireddy, Sambasiva R.; Z, Y; Assary, Rajeev S.; Ewoldt, Randy H.; Cheng, Lei; Zhang, Lu Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules The Journal of Physical Chemistry B, 2020 |
| 1506820 | CIF | C19 H15 N5 | P 1 21/c 1 | 8.437; 11.525; 16.874 90; 101.16; 90 | 1609.7 | Nesterov, 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 |
| 1506806 | CIF | C19 H21 N O4 | P 1 21/c 1 | 8.9277; 23.583; 8.1672 90; 98.186; 90 | 1702.02 | Grabowski, 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 |
| 1505767 | CIF | C19 H28 N2 O3 | P 21 21 21 | 7.9022; 9.2228; 24.589 90; 90; 90 | 1792.1 | Parrish, Damon; Zhurova, Elizabeth A.; Kirschbaum, Kristin; Pinkerton, A. Alan Experimental Charge Density Study of Estrogens: 17β-Estradiol·Urea The Journal of Physical Chemistry B, 2006, 110, 26442-26447 |
| 1507223 | CIF | C20 H24 F12 N2 O2 P2 | P 1 21/n 1 | 7.3945; 11.5399; 30.4358 90; 94.7525; 90 | 2588.21 | Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Ishida, Toshimasa Crystal Structure and Spectroscopic Properties of the CT Complex of Methyl Viologen Dication ando-Dimethoxybenzene Included in a Polycyano−Polycadmate Host and Electrostatic Effects on Its CT Absorption The Journal of Physical Chemistry B, 2003, 107, 9261 |
| 1559419 | CIF | C20 H34 O4 | P -1 | 6.8597; 8.1506; 9.6464 113.283; 103.766; 91.103 | 477.29 | Shkrob, Ilya A.; Li, Tao; Sarnello, Erik; Robertson, Lily A.; Zhao, Yuyue; Farag, Hossam; Yu, Zhou; Zhang, Jingjing; Bheemireddy, Sambasiva R.; Z, Y; Assary, Rajeev S.; Ewoldt, Randy H.; Cheng, Lei; Zhang, Lu Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules The Journal of Physical Chemistry B, 2020 |
| 1507221 | CIF | C21 H35 N7 O18 P2 | P 1 | 8.592; 8.845; 11.192 109.64; 90.56; 103.92 | 773.7 | Guillot, Benoît; Muzet, Nicolas; Artacho, Emilio; Lecomte, Claude; Jelsch, Christian Experimental and Theoretical Electron Density Studies in Large Molecules: NAD+, β-Nicotinamide Adenine Dinucleotide The Journal of Physical Chemistry B, 2003, 107, 9109 |
| 1507216 | CIF | C22 H16 N6 O10 | P b c n | 15.0526; 7.086; 22.0077 90; 90; 90 | 2347.4 | Akutagawa, Tomoyuki; Uchimaru, Tadafumi; Sakai, Ken-ichi; Hasegawa, Tatsuo; Nakamura, Takayoshi Bidentated Hydrogen Bond from [O−H···N−N···H−O] to [O-···+H−N−N−H+···-O] Structures in Solids The Journal of Physical Chemistry B, 2003, 107, 6248 |
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