Crystallography Open Database
Search results
Result: there are 52 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'The Journal of Physical Chemistry B'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1566958 | CIF | C5 H11 B O3 | P b c n | 14.303; 13.119; 7.702 90; 90; 90 | 1445.2 | Itou, Takahiko; Kitai, Hideyuki; Shimazu, Akira; Miyazaki, Tsukasa; Tashiro, Kohji Clarification of Cross-Linkage Structure in Boric Acid Doped Poly(vinyl alcohol) and Its Model Compound As Studied by an Organized Combination of X-ray Single-Crystal Structure Analysis, Raman Spectroscopy, and Density Functional Theoretical Calculation The Journal of Physical Chemistry B, 2014, 118, 6032-6037 |
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 |
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 |
1512263 | CIF | C23 H38 N4 O7 S2 | P 21 21 21 | 16.1483; 18.7091; 18.8204 90; 90; 90 | 5686 | Li, Fee; Bravo-Rodriguez, Kenny; Fernandez-Oliva, Miguel; Ramirez-Anguita, Juan M.; Merz, Klaus; Winter, Manuela; Lehmann, Christian W.; Sander, Wolfram; Sanchez-Garcia, Elsa Stereochemistry Rules: A Single Stereocenter Changes the Conformation of a Cyclic Tetrapeptide The Journal of Physical Chemistry B, 2013, 117, 10785 |
1512262 | CIF | C23 H38 N4 O7 S2 | P 1 21 1 | 5.067; 18.451; 14.842 90; 95.254; 90 | 1381.8 | Li, Fee; Bravo-Rodriguez, Kenny; Fernandez-Oliva, Miguel; Ramirez-Anguita, Juan M.; Merz, Klaus; Winter, Manuela; Lehmann, Christian W.; Sander, Wolfram; Sanchez-Garcia, Elsa Stereochemistry Rules: A Single Stereocenter Changes the Conformation of a Cyclic Tetrapeptide The Journal of Physical Chemistry B, 2013, 117, 10785 |
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 |
1507492 | CIF | C38 H72 F18 Li6 O34 S6 | P -1 | 13.11; 16.496; 19.382 104.55; 100.628; 111.661 | 3587.2 | 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 |
1507491 | CIF | C5 H10 F3 Na O5 S | P 1 21/c 1 | 5.8784; 17.3462; 10.8042 90; 92.891; 90 | 1100.28 | 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 |
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 |
1507224 | CIF | C8 H10 N8 O5 Sm W | P 4/n c c :2 | 10.9203; 10.9203; 14.658 90; 90; 90 | 1748 | Hozumi, Toshiya; Ohkoshi, Shin-ichi; Arimoto, Yoichi; Seino, Hidetake; Mizobe, Yasushi; Hashimoto, Kazuhito Cooling-rate Dependent Ferromagnetism in a Two-dimensional Cyano-bridged Sm(III)-W(V) Complex The Journal of Physical Chemistry B, 2003, 107, 11571 |
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 |
1507222 | CIF | C26.553 H26 Cd3 Cl1.447 N8.553 O3 | P n m a | 15.475; 8.8408; 25.0585 90; 90; 90 | 3428.29 | 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 |
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 |
1507220 | CIF | C7 H6 Cl N O | P 21 21 21 | 9.5704; 11.9479; 18.4555 90; 90; 90 | 2110.32 | Tam, Cheok N.; Cowan, John A.; Schultz, Arthur J.; Young, Jr., Victor G.; Trouw, Frans R.; Sykes, Andrew G. Neutron and X-ray Diffraction, Inelastic Neutron Scattering, and Solid-State13C NMR Investigations of Polymorphicp-Chlorophenylformamide: Absence of Proton Transfer along the Intermolecular N‒H⋯O Hydrogen Bond The Journal of Physical Chemistry B, 2003, 107, 7601-7606 |
1507219 | CIF | C7 H6 Cl N O | P 21 21 21 | 6.0873; 9.571; 12.076 90; 90; 90 | 703.6 | Tam, Cheok N.; Cowan, John A.; Schultz, Arthur J.; Young, Jr., Victor G.; Trouw, Frans R.; Sykes, Andrew G. Neutron and X-ray Diffraction, Inelastic Neutron Scattering, and Solid-State13C NMR Investigations of Polymorphicp-Chlorophenylformamide: Absence of Proton Transfer along the Intermolecular N‒H⋯O Hydrogen Bond The Journal of Physical Chemistry B, 2003, 107, 7601-7606 |
1507218 | CIF | C7 H6 Cl N O | P 21 21 21 | 6.1356; 9.5362; 11.899 90; 90; 90 | 696.21 | Tam, Cheok N.; Cowan, John A.; Schultz, Arthur J.; Young, Jr., Victor G.; Trouw, Frans R.; Sykes, Andrew G. Neutron and X-ray Diffraction, Inelastic Neutron Scattering, and Solid-State13C NMR Investigations of Polymorphicp-Chlorophenylformamide: Absence of Proton Transfer along the Intermolecular N‒H⋯O Hydrogen Bond The Journal of Physical Chemistry B, 2003, 107, 7601-7606 |
1507217 | CIF | C22 H16 N6 O10 | P 1 21/n 1 | 4.93; 19.793; 11.6871 90; 92.022; 90 | 1139.71 | 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 |
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 |
1507215 | CIF | C22 H16 N8 O15 | C 1 2/c 1 | 29.749; 5.2799; 20.736 90; 130.032; 90 | 2493.9 | 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 |
1506846 | CIF | C56 H76 P2 Pt | P -1 | 10.0075; 10.7197; 12.8122 101.67; 109.882; 95.533 | 1245.28 | Haskins-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 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!