Crystallography Open Database

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1561273 CIFC16 H40 Cl7 In N4 O0 S4C 1 2/c 120.9774; 10.1284; 14.5479
90; 99.752; 90
3046.3Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning
Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.
The journal of physical chemistry letters, 2021, 3288-3294
1561274 CIFC12 H27 Cl5 In N2 O S2P 1 21/n 111.7611; 12.5257; 15.0163
90; 96.853; 90
2196.34Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning
Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.
The journal of physical chemistry letters, 2021, 3288-3294
1561275 CIFC14 H36 Cl6 In N3 O S3P -17.7233; 11.6526; 15.1865
82.98; 87.09; 88.651
1354.53Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning
Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.
The journal of physical chemistry letters, 2021, 3288-3294
1561276 CIFC16 H40 Cl7 In0.93 N4 S4 Sb0.07C 1 2/c 121.0254; 10.1582; 14.5931
90; 99.846; 90
3070.9Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning
Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.
The journal of physical chemistry letters, 2021, 3288-3294
8000074 CIFC23 H16 O2 S2P c c n5.9686; 13.7161; 22.6208
90; 90; 90
1851.87Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.
Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties
The Journal of Physical Chemistry Letters, 2011, 2, 648
8000075 CIFC21 H12 O S2P 1 2/c 116.9741; 6.496; 7.1152
90; 91.0088; 90
784.43Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.
Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties
The Journal of Physical Chemistry Letters, 2011, 2, 648
8000076 CIFC24 H12 N2 S2P 1 21/c 114.8678; 7.5297; 16.9934
90; 95.7169; 90
1892.95Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.
Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties
The Journal of Physical Chemistry Letters, 2011, 2, 648
8000077 CIFC23 H6 F10 O2 S2P -18.8519; 9.6987; 13.1288
70.3916; 78.2754; 82.4345
1037.15Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.
Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties
The Journal of Physical Chemistry Letters, 2011, 2, 648
8000078 CIFC24 H2 F10 N2 S2P 1 21/n 116.8693; 7.6992; 32.7451
90; 96.783; 90
4223.2Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.
Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties
The Journal of Physical Chemistry Letters, 2011, 2, 648
8000079 CIFC23 H11 F5 O2 S2P -18.3262; 9.9514; 12.7866
112.274; 99.195; 91.288
963.8Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.
Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties
The Journal of Physical Chemistry Letters, 2011, 2, 648
8000080 CIFC33 H30 F6 N2P 1 c 16.2952; 13.29; 17.297
90; 101.4; 90
1418.6Dou, Chuandong; Han, Liang; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue
Multi-Stimuli-Responsive Fluorescence Switching of a Donor−Acceptor π-Conjugated Compound
The Journal of Physical Chemistry Letters, 2011, 2, 666
8000081 CIFC13 H15 N4 O6P 4110.6905; 10.6905; 12.9823
90; 90; 90
1483.71Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji
An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals
The Journal of Physical Chemistry Letters, 2011, 2, 3036
8000082 CIFC13 H15 N4 O6P 4310.6835; 10.6835; 12.9899
90; 90; 90
1482.63Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji
An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals
The Journal of Physical Chemistry Letters, 2011, 2, 3036
8000083 CIFC10 H7 N O3P 1 21/n 15.2307; 9.6701; 15.5374
90; 98.565; 90
777.14Tang, Kuo-Chun; Chen, Chyi-Lin; Chuang, Hsiao-Han; Chen, Jien-Lian; Chen, Yi-Ju; Lin, Yi-Chih; Shen, Jiun-Yi; Hu, Wei-Ping; Chou, Pi-Tai
A Genuine Intramolecular Proton Relay System Undergoing Excited-State Double Proton Transfer Reaction
The Journal of Physical Chemistry Letters, 2011, 2, 3063
8000197 CIFC144 H162 Ag6.66 Au18.34 S18P -116.191; 17.244; 18.613
105.871; 106.252; 90.74
4776Kumara, Chanaka; Aikens, Christine M.; Dass, Amala
X-ray Crystal Structure and Theoretical Analysis of Au25‒xAgx(SCH2CH2Ph)18‒Alloy
The Journal of Physical Chemistry Letters, 2014, 5, 461
8000198 CIFC14 H12.8 N4 O1.4P 1 21/c 18.761; 16.167; 9.689
90; 108.314; 90
1302.8Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei
Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond
The Journal of Physical Chemistry Letters, 2014, 5, 92
8000199 CIFC14 H12 N4 OP -17.5326; 9.6002; 10.1649
99.619; 109.189; 109.599
621.42Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei
Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond
The Journal of Physical Chemistry Letters, 2014, 5, 92
8000200 CIFC14 H3 F7 O2P 21 21 214.4782; 11.8813; 21.849
90; 90; 90
1162.5Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.
Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes
The Journal of Physical Chemistry Letters, 2014, 5, 1560
8000201 CIFC44 Cs Er F52 O8P n n a26.1476; 14.1409; 14.6773
90; 90; 90
5426.9Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.
Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes
The Journal of Physical Chemistry Letters, 2014, 5, 1560
8000202 CIFC58 H14 Cs Er F28 O8C 1 2/c 126.905; 8.464; 24.2743
90; 107.21; 90
5280.3Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.
Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes
The Journal of Physical Chemistry Letters, 2014, 5, 1560
8000203 CIFC56 Cs Er F28 O12P -113.2677; 14.96; 15.5993
99.293; 101.038; 115.265
2643.1Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.
Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes
The Journal of Physical Chemistry Letters, 2014, 5, 1560
8000204 CIFC47 H33 Cl3 N4P -112.347; 13.031; 13.621
107.495; 115.25; 93.094
1847.8Harada, Yuka; Hatano, Sayaka; Kimoto, Atsushi; Abe, Jiro
Remarkable Acceleration for Back-Reaction of a Fast Photochromic Molecule
The Journal of Physical Chemistry Letters, 2010, 1, 1112
8000205 CIFC21 H18 B F4 N OP -17.8888; 10.6684; 12.2654
81.87; 78.907; 67.749
934.87Nishizaka, Masaki; Mori, Tadashi; Inoue, Yoshihisa
Experimental and Theoretical Studies on the Chiroptical Properties of Donor−Acceptor Binaphthyls. Effects of Dynamic Conformer Population on Circular Dichroism
The Journal of Physical Chemistry Letters, 2010, 1, 1809
8000206 CIFC46 H54 O2 S4P -15.8691; 14.2212; 14.2606
113.921; 100.286; 93.039
1060.1Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara
Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents
The Journal of Physical Chemistry Letters, 2014, 5, 2171
8000207 CIFC23 H27 O S2P -110.0773; 12.626; 17.705
82.176; 77.112; 76.89
2130Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara
Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents
The Journal of Physical Chemistry Letters, 2014, 5, 2171
8000208 CIFC32 H36 N2P -16.202; 8.602; 12.334
83.36; 79.79; 73.78
620.3Chen, Jinlong; Ma, Suqian; Zhang, Jibo; Wang, Lijuan; Ye, Ling; Li, Bao; Xu, Bin; Tian, Wenjing
Proton-Triggered Hypsochromic Luminescence in 1,1′-(2,5-Distyryl-1,4-phenylene) Dipiperidine
The Journal of Physical Chemistry Letters, 2014, 5, 2781
8000214 CIFC68 H46 S6P 1 21/c 114.1274; 7.4879; 24.8944
90; 97.826; 90
2608.9Ie, Yutaka; Tanaka, Kazunari; Tashiro, Aya; Lee, See Kei; Testai, Henrique Rosa; Yamada, Ryo; Tada, Hirokazu; Aso, Yoshio
Thiophene-based Tripodal Anchor Units for Hole Transport in Single-Molecule Junctions with Gold Electrodes.
The journal of physical chemistry letters, 2015, 6, 3754-3759
8000227 CIFC66 H78 O6P 21 21 2110.73807; 18.8417; 27.9758
90; 90; 90
5660.16Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi
Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.
The journal of physical chemistry letters, 2016, 7, 783-788
8000228 CIFC48 H42 O6C 1 c 114.5496; 25.3475; 10.4535
90; 100.915; 90
3785.5Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi
Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.
The journal of physical chemistry letters, 2016, 7, 783-788
8000231 CIFC37 H39 N2 O2P n a 2122.9575; 13.5678; 10.0581
90; 90; 90
3132.9Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro
Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.
The journal of physical chemistry letters, 2016, 7, 3067-3072
8000232 CIFC51 H51.42 N2 OP -114.2277; 17.004; 17.1275
95.533; 91.1547; 104.605
3986.8Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro
Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.
The journal of physical chemistry letters, 2016, 7, 3067-3072
8000233 CIFI6 N8 Pb2I 4/m c m8.8117; 8.8117; 12.674
90; 90; 90
984.1G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D.
Is CH3NH3PbI3 Polar?
The journal of physical chemistry letters, 2016, 7, 2412-2419
8000234 CIFC H6 I3 N PbP n m a8.8767; 12.64; 8.5879
90; 90; 90
963.58G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D.
Is CH3NH3PbI3 Polar?
The journal of physical chemistry letters, 2016, 7, 2412-2419
8000235 CIFC34 H29.5 N2 O4P 1 21/c 133.897; 7.329; 21.104
90; 100.329; 90
5157.9Austin, Ashli; Hestand, Nicholas J.; McKendry, Ian G.; Zhong, Chuwei; Zhu, Xuanyu; Zdilla, Michael J.; Spano, Frank C.; Szarko, Jodi M.
Enhanced Davydov Splitting in Crystals of a Perylene Diimide Derivative.
The journal of physical chemistry letters, 2017, 1118-1123
8000236 CIFC120 H220 Au28 S20C c c a :226.4855; 34.211; 21.8681
90; 90; 90
19814.6Higaki, Tatsuya; Liu, Chong; Chen, Yuxiang; Zhao, Shuo; Zeng, Chenjie; Jin, Renxi; Wang, Shuxin; Rosi, Nathaniel L.; Jin, Rongchao
Oxidation-Induced Transformation of Eight-Electron Gold Nanoclusters: [Au23(SR)16](-) to [Au28(SR)20](0).
The journal of physical chemistry letters, 2017, 8, 866-870
8000237 CIFC18 H16 O4 SC 1 2/c 121.8001; 9.0461; 19.7453
90; 128.902; 90
3030.3Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry
Ingredients to TICT Formation in Donor Substituted Hemithioindigo.
The journal of physical chemistry letters, 2017, 8, 1585-1592
8000238 CIFC18 H16 O SP 1 21/n 113.5107; 8.4433; 13.5676
90; 109.311; 90
1460.64Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry
Ingredients to TICT Formation in Donor Substituted Hemithioindigo.
The journal of physical chemistry letters, 2017, 8, 1585-1592
8000239 CIFC20 H20 O SP 1 21/n 18.6197; 13.3862; 13.6456
90; 102.746; 90
1535.7Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry
Ingredients to TICT Formation in Donor Substituted Hemithioindigo.
The journal of physical chemistry letters, 2017, 8, 1585-1592
8000240 CIFC18 H16 O2 SP 21 21 216.2782; 11.0313; 20.7739
90; 90; 90
1438.73Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry
Ingredients to TICT Formation in Donor Substituted Hemithioindigo.
The journal of physical chemistry letters, 2017, 8, 1585-1592
8000241 CIFC32 H72 Br6 Ir N2P -118.464; 22.363; 22.409
91.741; 104.271; 106.193
8563Carbery, William P.; Verma, Archana; Turner, Daniel B.
Spin-Orbit Coupling Drives Femtosecond Nonadiabatic Dynamics in a Transition Metal Compound.
The journal of physical chemistry letters, 2017, 8, 1315-1322
8000242 CIFC9 H8 N6 OP 1 21/c 14.647; 18.557; 11.518
90; 91.618; 90
992.9Lucenti, Elena; Forni, Alessandra; Botta, Chiara; Carlucci, Lucia; Giannini, Clelia; Marinotto, Daniele; Previtali, Andrea; Righetto, Stefania; Cariati, Elena
H-aggregates Granting Crystallization Induced Emissive Behavior and Ultralong Phosphorescence from a Pure Organic Molecule.
The journal of physical chemistry letters, 2017, 1894
8000243 CIFC15 H36 Cl9 N3 Sb2R -3 c :H15.6182; 15.6182; 22.4337
90; 90; 120
4739.1Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua
Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.
The journal of physical chemistry letters, 2017, 8, 2012-2018
8000244 CIFC15 H36 Br3 Cl6 N3 Sb2R -3 c :H15.8386; 15.8386; 22.839
90; 90; 120
4961.8Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua
Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.
The journal of physical chemistry letters, 2017, 8, 2012-2018
8000245 CIFC15 H36 Br9 N3 Sb2R -3 c :H15.9951; 15.9951; 23.1124
90; 90; 120
5120.9Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua
Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.
The journal of physical chemistry letters, 2017, 8, 2012-2018
8000246 CIFC15 H36 Br3 Cl6 N3 Sb2R 3 c :H15.2807; 15.2807; 23.3345
90; 90; 120
4718.6Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua
Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.
The journal of physical chemistry letters, 2017, 8, 2012-2018
8000247 CIFC15 H36 Br9 N3 Sb2R 3 c :H15.6943; 15.6943; 23.5279
90; 90; 120
5018.77Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua
Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.
The journal of physical chemistry letters, 2017, 8, 2012-2018
8000248 CIFC28 H26 N2 O6 SP -18.3018; 9.4214; 16.293
83.45; 77.59; 85.73
1234.8Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing
Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.
The journal of physical chemistry letters, 2017, 8, 3068-3072
8000249 CIFC28 H25 Cl N2 O2P -18.1571; 9.862; 15.677
87.7; 88.68; 66.35
1154.3Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing
Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.
The journal of physical chemistry letters, 2017, 8, 3068-3072
8000250 CIFC28 H20 N2P 1 21/c 17.5957; 5.7108; 22.899
90; 95.95; 90
988Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing
Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.
The journal of physical chemistry letters, 2017, 8, 3068-3072
8000251 CIFC60 H80 O4 S4P 1 21/c 131.056; 7.663; 5.996
90; 94.18; 90
1423.1Bedoya-Martinez, Natalia; Schrode, Benedikt; Jones, Andrew O.F.; Salzillo, Tommaso; Ruzie, Christian; Demitri, Nicola; Geerts, Yves H.; Venuti, Elisabetta; Della Valle, Raffaele Guido; Zojer, Egbert; Resel, Roland
DFT-assisted polymorph identification from lattice Raman fingerprinting
The Journal of Physical Chemistry Letters, 2017, 8, 3690-3395

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