Crystallography Open Database
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Searching journal of publication like 'The journal of physical chemistry. A'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1554021 | CIF | C11 H14 Br N O | P -1 | 7.9102; 8.4568; 9.3598 94.319; 104.239; 109.133 | 564.99 | Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797 |
1554022 | CIF | C12 H16 Br N O2 | P 1 21/n 1 | 9.789; 12.5062; 10.3991 90; 91.746; 90 | 1272.5 | Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797 |
1554023 | CIF | C16 H16 I N | P b c a | 16.4326; 7.7795; 22.582 90; 90; 90 | 2886.8 | Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797 |
1554024 | CIF | C14 H12 Br N | P 1 21/c 1 | 5.4234; 12.2775; 17.5537 90; 96.458; 90 | 1161.41 | Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797 |
1554025 | CIF | C12 H11 F3 I N | P n m a | 15.8119; 7.3074; 11.4308 90; 90; 90 | 1320.76 | Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797 |
1554026 | CIF | C H3 N3 O2 S | P -1 | 5.624; 5.9498; 7.6329 72.216; 70.897; 88.601 | 229 | Deng, Guohai; Li, Dingqing; Wu, Zhuang; Li, Hongmin; Bernhardt, Eduard; Zeng, Xiaoqing Methanesulfonyl Azide: Molecular Structure and Photolysis in Solid Noble Gas Matrices. The journal of physical chemistry. A, 2016, 120, 5590-5597 |
1554027 | CIF | C18 H15 Bi | I 1 2/a 1 | 26.5617; 5.7076; 20.2096 90; 109.72; 90 | 2884.16 | Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth. The journal of physical chemistry. A, 2016, 120, 6650-6669 |
1554028 | CIF | C50 H38 | P -3 c 1 | 25.335; 25.335; 9.7336 90; 90; 120 | 5410.6 | Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B. Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide. The journal of physical chemistry. A, 2016, 120, 7510-7518 |
1554029 | CIF | C46 H35 | P -1 | 10.9977; 12.7275; 25.4982 76.418; 88.985; 66.708 | 3175.2 | Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B. Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide. The journal of physical chemistry. A, 2016, 120, 7510-7518 |
1554030 | CIF | C46 H33 O2 | P 1 21/c 1 | 11.1827; 21.6777; 13.4109 90; 102.344; 90 | 3175.85 | Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B. Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide. The journal of physical chemistry. A, 2016, 120, 7510-7518 |
1556096 | CIF | C17 H32 N2 O5 | P 2 21 21 | 10.1695; 17.5711; 12.1157 90; 90; 90 | 2164.95 | Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N. Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy. The journal of physical chemistry. A, 2014, 118, 9568-9574 |
1556097 | CIF | C17 H32 N2 O5 | P 1 21 1 | 9.8681; 17.5; 12.2922 90; 102.706; 90 | 2070.8 | Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N. Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy. The journal of physical chemistry. A, 2014, 118, 9568-9574 |
1556919 | CIF | C13 H11 N3 O2 | R -3 :H | 24.5798; 24.5798; 11.7412 90; 90; 120 | 6143.3 | Desta, Israel Tilahun; Chizhik, Stanislav A.; Sidelnikov, Anatoli A.; Karothu, Durga Prasad; Boldyreva, Elena V.; Naumov, Pance Mechanically Responsive Crystals: Analysis of Macroscopic Strain Reveals "Hidden" Processes. The journal of physical chemistry. A, 2019 |
1557278 | CIF | C55 H68 D3 Eu N2 O6 | P 1 21/c 1 | 12.3206; 27.4776; 17.5732 90; 104.527; 90 | 5759 | Fishman, Natalya N.; Lukzen, Nikita N.; Ivanov, Konstantin L.; Edeleva, Mariya V.; Fokin, Sergey V.; Romanenko, Galina V.; Ovcharenko, Victor I. Multifrequency NMR as an Efficient Tool to Investigate Heterospin Complexes in Solutions. The journal of physical chemistry. A, 2020 |
1557560 | CIF | C8 H32 Cd0.96 Cu0.04 N6 O18 S2 | P 1 21/n 1 | 6.5584; 27.8708; 7.1955 90; 110.371; 90 | 1232.99 | Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate. The journal of physical chemistry. A, 2020 |
1557561 | CIF | C8 H32 Cd0.96 Cu0.04 N6 O18 S2 | P 1 21/n 1 | 6.5282; 27.7012; 7.1557 90; 110.584; 90 | 1211.42 | Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate. The journal of physical chemistry. A, 2020 |
1557662 | CIF | C9 H12 B N O3 | P b c a | 11.5309; 7.674; 21.8978 90; 90; 90 | 1937.7 | Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids. The journal of physical chemistry. A, 2020 |
1557663 | CIF | C8 H10 B N O3 | P 1 21/c 1 | 4.98445; 24.1243; 7.0635 90; 98.767; 90 | 839.44 | Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids. The journal of physical chemistry. A, 2020 |
1557664 | CIF | C7 H7 B O3 | I 1 a 1 | 7.1663; 9.8589; 9.865 90; 100.286; 90 | 685.78 | Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids. The journal of physical chemistry. A, 2020 |
1557748 | CIF | C26 H15 N5 O | P -1 | 9.2313; 9.3742; 11.8955 84.254; 67.426; 81.238 | 938.451 | Gryl, Marlena; Ostrowska, Katarzyna; Barquera-Lozada, Jose Enrique; Stadnicka, Katarzyna M. Unveiling the Impact of Aggregation on Optical Anisotropy of Triazaacephenanthrylene Single Crystals. A Combined Quantum Crystallography and Conceptual Density Functional Theory Approach. The journal of physical chemistry. A, 2020 |
1558471 | CIF | C45 H31 Cl3 N4 | P -1 | 9.6121; 14.2479; 14.6368 107.63; 101.505; 97.424 | 1833 | Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism. The journal of physical chemistry. A, 2020 |
1558472 | CIF | C50 H44 N6 O2 | P -1 | 12.6211; 13.1779; 13.5455 98.691; 116.169; 92.716 | 1982.2 | Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism. The journal of physical chemistry. A, 2020 |
1558473 | CIF | C48 H38 N4 | P 1 21/c 1 | 14.3901; 8.4196; 15.7484 90; 95.333; 90 | 1899.8 | Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism. The journal of physical chemistry. A, 2020 |
1558474 | CIF | C44 H32 N4 O | P -1 | 8.7618; 13.5724; 14.6798 74.067; 85.926; 73.962 | 1613.3 | Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism. The journal of physical chemistry. A, 2020 |
1558539 | CIF | C136 H112 Au8 Fe4 P8 | P -1 | 16.136; 19.7871; 23.2458 76.706; 73.016; 80.103 | 6864.3 | Li, Shuo Hao; Liu, Xu; Hu, Weigang; Chen, Mingyang; Zhu, Yan An Au<sub>8</sub> Cluster Fortified by Four Ferrocenes. The journal of physical chemistry. A, 2020, 124, 6061-6067 |
1558965 | CIF | C16 H18 O4 | P 1 21/c 1 | 11.484; 9.814; 12.602 90; 96.815; 90 | 1410.3 | Sarkar, Sujan K.; Ranaweera, R. A. A. Upul; Merugu, Rajkumar; Abdelaziz, Nayera M.; Robinson, Jendai E.; Day, Heidi A.; Krause, Jeanette A.; Gudmundsdottir, Anna D. Comparison of the Photochemistry of Acyclic and Cyclic 4-(4-Methoxy-Phenyl)-4-Oxo-but-2-Enoate Ester Derivatives. The journal of physical chemistry. A, 2020 |
1559334 | CIF | C78 H63 B F24 N2 | C 1 2/c 1 | 19.8956; 18.1458; 19.4211 90; 91.388; 90 | 7009.38 | Bot, Marek; Gorbachev, Vladimir M.; Tsybizova, Alexandra; Chen, Peter Bond Dissociation Energies in the Gas Phase for Large Molecular Ions by Threshold Collision-Induced Dissociation Experiments: a Benchmarking Study. The journal of physical chemistry. A, 2020 |
1559497 | CIF | C47 H44 B F2 N3 | P 1 21/n 1 | 13.5433; 14.4891; 20.497 90; 105.986; 90 | 3866.6 | Gangada, Suneel; Ramnagar, Ramya Athira; Sangolkar, Akanksha Ashok; Pawar, Ravinder; Nanubolu, Jagadeesh Babu; Roy, Partha; Giribabu, Lingamallu; Chitta, Raghu Excitation-Wavelength-Dependent Light-Induced Electron Transfer and Twisted Intramolecular Charge Transfer in <i>N</i>,<i>N</i>-Bis(4'-<i>tert</i>-butylbiphenyl-4-yl)aniline Functionalized Borondipyrromethenes. The journal of physical chemistry. A, 2020, 124, 9738-9750 |
1559699 | CIF | C243 H236 Ga32 N32 Na4 Nd4 O139 | P 1 21/c 1 | 19.9382; 18.4554; 44.8986 90; 92.964; 90 | 16499.1 | Salerno, Elvin V.; Eliseeva, Svetlana V.; Schneider, Bernadette L.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L. Visible, Near-Infrared, and Dual-Range Luminescence Spanning the 4f Series Sensitized by a Gallium(III)/Lanthanide(III) Metallacrown Structure. The journal of physical chemistry. A, 2020, 124, 10550-10564 |
1560748 | CIF | C12 H20 Cl2 N4 O2 S | P 1 21/n 1 | 6.966; 20.504; 11.68 90; 98.372; 90 | 1650.5 | Takahashi, Masae; Kowada, Mitsuru; Matsui, Hiroshi; Kwon, Eunsang; Ikemoto, Yuka Temperature-Dependent Low-Frequency Vibrations of Thiamine Crystal Containing Hydrated Ions. The journal of physical chemistry. A, 2021, 125, 1837-1844 |
1560808 | CIF | C32 H28 N4 O4 | P 1 21/n 1 | 4.5196; 37.0928; 7.9294 90; 96.848; 90 | 1319.84 | Goodlett, Dustin W.; Sindt, Ammon J.; Hossain, Muhammad Saddam; Merugu, Rajkumar; Smith, Mark D.; Garashchuk, Sophya; Gudmundsdottir, Anna D.; Shimizu, Linda S. From Incident Light to Persistent and Regenerable Radicals of Urea-Assembled Benzophenone Frameworks: A Structural Investigation. The journal of physical chemistry. A, 2021, 125, 1336-1344 |
1564315 | CIF | C7 H7 N3 O3 | P c a 21 | 10.2828; 9.526; 7.9993 90; 90; 90 | 783.6 | Machida, Shiori; Kida, Motoki; Muramatsu, Satoru; Hirao, Takehiro; Haino, Takeharu; Inokuchi, Yoshiya Gas-Phase UV Spectroscopy of Chemical Intermediates Produced in Solution: Oxidation Reactions of Phenylhydrazines by DDQ. The journal of physical chemistry. A, 2021, 125, 6697-6702 |
1564536 | CIF | C16 H24 Cl2 Rh2 | P 1 21/n 1 | 7.29534; 25.43886; 9.04309 90; 91.8695; 90 | 1677.37 | Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts. The journal of physical chemistry. A, 2021, 125, 7473-7488 |
1564537 | CIF | C16 H24 Cl2 Ir2 | P b c a | 15.18382; 13.64566; 16.30646 90; 90; 90 | 3378.59 | Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts. The journal of physical chemistry. A, 2021, 125, 7473-7488 |
1564806 | CIF | C40 H32 Dy2 N6 O18 | P 1 21/n 1 | 10.5497; 17.112; 12.0241 90; 100.401; 90 | 2135 | Dolai, Malay; Moreno-Pineda, Eufemio; Wernsdorfer, Wolfgang; Ali, Mahammad; Ghosh, Ashutosh Exchange-Bias Quantum Tunneling of the Magnetization in a Dysprosium Dimer. The journal of physical chemistry. A, 2021, 125, 8230-8237 |
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