Crystallography Open Database
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Searching year of publication is 2013
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1508919 | CIF | C49 H37 N2 O5 | P -1 | 10.4825; 12.3742; 16.3558 83.7391; 86.7693; 68.5231 | 1962.16 | Cheriya, Rijo T.; Nagarajan, Kalaivanan; Hariharan, Mahesh Single-Component Organic Light-Harvesting Red Luminescent Crystal The Journal of Physical Chemistry C, 2013, 117, 3240 |
| 1508920 | CIF | C28 H24 N2 O4 | P 1 21/c 1 | 11.125; 21.323; 10.4804 90; 107.093; 90 | 2376.3 | Wei, Ruirui; Song, Panshu; Tong, Aijun Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence The Journal of Physical Chemistry C, 2013, 117, 3467 |
| 1508921 | CIF | C28 H24 N2 O4 | C 1 2/c 1 | 19.228; 12.902; 21.509 90; 118.55; 90 | 4687.1 | Wei, Ruirui; Song, Panshu; Tong, Aijun Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence The Journal of Physical Chemistry C, 2013, 117, 3467 |
| 1508922 | CIF | C74 H72 Cl N O2 P4 W | P -1 | 9.887; 12.071; 26.395 90.302; 92.637; 103.19 | 3063 | Moravec, Davis B.; Hopkins, Michael D. FRET Sensitization of Tungsten-Alkylidyne Complexes by Zinc Porphyrins in Self-Assembled Dyads. The journal of physical chemistry. A, 2013, 117, 1744-1755 |
| 1508923 | CIF | C10 H14 O3 | P 1 21 1 | 7.9356; 7.1221; 8.5697 90; 102.824; 90 | 472.26 | Kumar, Manjeet; Qadri, Masroor; Sharma, Parduman Raj; Kumar, Arvind; Andotra, Samar S.; Kaur, Tandeep; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Hamid, Abid; Johri, Sarojini; Taneja, Subhash C.; Vishwakarma, Ram A.; Riyaz-Ul-Hassan, Syed; Shah, Bhahwal Ali Tubulin Inhibitors from an Endophytic Fungus Isolated from Cedrus deodara. Journal of natural products, 2013, 76, 194-199 |
| 1508924 | CIF | C9 H14 O2 | P 21 21 21 | 7.3937; 10.5911; 10.6467 90; 90; 90 | 833.72 | Kumar, Manjeet; Qadri, Masroor; Sharma, Parduman Raj; Kumar, Arvind; Andotra, Samar S.; Kaur, Tandeep; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Hamid, Abid; Johri, Sarojini; Taneja, Subhash C.; Vishwakarma, Ram A.; Riyaz-Ul-Hassan, Syed; Shah, Bhahwal Ali Tubulin Inhibitors from an Endophytic Fungus Isolated from Cedrus deodara. Journal of natural products, 2013, 76, 194-199 |
| 1508925 | CIF | C22 H30 O6 S | P 21 21 21 | 8.4382; 10.6416; 23.583 90; 90; 90 | 2117.7 | Saha, Mrinmoy; Carter, Rich G. Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine. Organic letters, 2013, 15, 736-739 |
| 1508926 | CIF | C19 H24 O5 S | P 21 21 21 | 8.0743; 10.233; 20.798 90; 90; 90 | 1718.4 | Saha, Mrinmoy; Carter, Rich G. Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine. Organic letters, 2013, 15, 736-739 |
| 1508927 | CIF | C19 H26 O6 S | P 21 21 21 | 8.0553; 10.1921; 21.862 90; 90; 90 | 1794.9 | Saha, Mrinmoy; Carter, Rich G. Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine. Organic letters, 2013, 15, 736-739 |
| 1508928 | CIF | C32 H28 N4 O8 | P 1 21/c 1 | 7.0625; 10.8486; 18.2963 90; 94.908; 90 | 1396.69 | Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R. A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal. Organic letters, 2013, 15, 744-747 |
| 1508929 | CIF | C32 H28 N4 O8 | P -1 | 7.3377; 11.3673; 18.0101 74.38; 90.072; 70.386 | 1355.82 | Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R. A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal. Organic letters, 2013, 15, 744-747 |
| 1508930 | CIF | C32 H28 N4 O8 | P -1 | 9.131; 11.006; 15.272 99.5; 98.7; 110.13 | 1384.9 | Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R. A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal. Organic letters, 2013, 15, 744-747 |
| 1508931 | CIF | C21 H13 Cl4 N2 O3 | C 1 2 1 | 26.5331; 8.0048; 9.7571 90; 97.575; 90 | 2054.25 | Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C. Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp. Organic letters, 2013, 15, 988-991 |
| 1508932 | CIF | C22 H14 Cl4 N2 O5 | P 1 | 7.649; 11.8911; 12.6157 105.779; 98.658; 92.067 | 1088.06 | Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C. Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp. Organic letters, 2013, 15, 988-991 |
| 1508933 | CIF | C9 H12 N2 O4 | P 1 21/c 1 | 7.7215; 7.90305; 16.5104 90; 101.898; 90 | 985.87 | Orimoto, Kohei; Oyama, Harufumi; Namera, Yuki; Niwa, Takashi; Nakada, Masahisa Catalytic Asymmetric [4 + 2] Cycloadditions and Hosomi-Sakurai Reactions of α-Alkylidene β-Keto Imides. Organic letters, 2013, 15, 768-771 |
| 1508934 | CIF | C18 H15 N O2 | P 1 21/c 1 | 16.6508; 12.0775; 14.6164 90; 109.539; 90 | 2770.1 | Liu, Xu; Zhang, Qian; Zhang, Dingyuan; Xin, Xiaoqing; Zhang, Rui; Zhou, Fenguo; Dong, Dewen PPA-Mediated C-C Bond Formation: A Synthetic Route to Substituted Indeno[2,1-c]quinolin-6(7H)-ones. Organic letters, 2013, 15, 776-779 |
| 1508935 | CIF | C28 H34 O10 S | P 1 21 1 | 5.3516; 19.434; 13.261 90; 95.518; 90 | 1372.8 | Chooi, Yit-Heng; Fang, Jinxu; Liu, Hong; Filler, Scott G.; Wang, Pin; Tang, Yi Genome Mining of a Prenylated and Immunosuppressive Polyketide from Pathogenic Fungi. Organic letters, 2013, 15, 780-783 |
| 1508936 | CIF | C32 H34 O7 | P 21 21 21 | 11.84571; 13.0433; 17.6965 90; 90; 90 | 2734.24 | Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal. Organic letters, 2013, 15, 1000-1003 |
| 1508937 | CIF | C14 H18 O2 | P 21 21 21 | 8.06899; 9.64395; 15.6052 90; 90; 90 | 1214.35 | Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal. Organic letters, 2013, 15, 1000-1003 |
| 1508938 | CIF | C20 H23 O3 P | P 21 21 21 | 8.10822; 13.8133; 15.9269 90; 90; 90 | 1783.83 | Sawada, Takashi; Nakada, Masahisa Enantioselective Total Synthesis of (+)-Colletoic Acid via Catalytic Asymmetric Intramolecular Cyclopropanation of an α-Diazo-β-keto Diphenylphosphine Oxide. Organic letters, 2013, 15, 1004-1007 |
| 1508939 | CIF | C17 H36 N2 O2 S Si | P 21 21 21 | 10.963; 11.569; 17.41 90; 90; 90 | 2208.1 | Cornwall, Richard G.; Zhao, Baoguo; Shi, Yian Catalytic asymmetric synthesis of cyclic sulfamides from conjugated dienes. Organic letters, 2013, 15, 796-799 |
| 1508940 | CIF | C19 H12 Br2 O2 | P -1 | 7.0896; 9.732; 11.0373 99.588; 91.694; 96.224 | 745.58 | Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10. Organic letters, 2013, 15, 804-807 |
| 1508941 | CIF | C20 H12 N2 O2 | P -1 | 7.0844; 10.1531; 10.6861 105.788; 98.355; 96.968 | 721.27 | Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10. Organic letters, 2013, 15, 804-807 |
| 1508942 | CIF | C21 H12 N2 O2 | P m c n | 6.8305; 11.0589; 19.8828 90; 90; 90 | 1501.9 | Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10. Organic letters, 2013, 15, 804-807 |
| 1508943 | CIF | C10 H9 O2 | C 1 2/c 1 | 15.5468; 10.7779; 10.234 90; 114.524; 90 | 1560.1 | Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10. Organic letters, 2013, 15, 804-807 |
| 1508944 | CIF | C22 H18 O4 | P 1 21/a 1 | 11.3553; 7.1744; 11.5613 90; 119.414; 90 | 820.46 | Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10. Organic letters, 2013, 15, 804-807 |
| 1508945 | CIF | C28 H22 N4 | P 1 21/n 1 | 9.0368; 9.2187; 13.518 90; 97.088; 90 | 1117.55 | Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10. Organic letters, 2013, 15, 804-807 |
| 1508946 | CIF | C37 H25 N3 O | P 1 21/c 1 | 17.131; 10.7442; 14.687 90; 93.702; 90 | 2697.6 | Ghosh, Avijit; Chatterjee, Tamal; Lee, Way-Zen; Ravikanth, Mangalampalli Unusual formation of 21-oxacorrole from 21-oxaporphyrin induced by phosphoryl chloride. Organic letters, 2013, 15, 1040-1043 |
| 1508947 | CIF | C19 H16 Cl N O3 | P 1 21/c 1 | 10.25; 10.486; 16.7877 90; 114.815; 90 | 1637.77 | Wei, Ying; Lin, Shaoxia; Liang, Fushun; Zhang, Jingping N-Bromosuccinimide/1,8-Diazabicyclo[5.4.1]undec-7-ene Combination: β-Amination of Chalcones via a Tandem Bromoamination/Debromination Sequence. Organic letters, 2013, 15, 852-855 |
| 1508948 | CIF | C19 H19 N O | P 1 21/c 1 | 8.8897; 17.783; 10.6532 90; 112.329; 90 | 1557.8 | Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile. Organic letters, 2013, 15, 856-859 |
| 1508949 | CIF | C20 H21 N O | P 1 21/n 1 | 10.1765; 16.6581; 10.2059 90; 114.481; 90 | 1574.6 | Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile. Organic letters, 2013, 15, 856-859 |
| 1508950 | CIF | C27 H19 N O | P -1 | 9.459; 10.483; 11.488 94.23; 97.208; 116.495 | 1000.6 | Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile. Organic letters, 2013, 15, 856-859 |
| 1508951 | CIF | C22 H16 F4 N2 O2 | P -1 | 10.1388; 10.3543; 10.8675 98.858; 115.501; 99.511 | 982.56 | Yu, Daohong; Lu, Long; Shen, Qilong Palladium-Catalyzed Coupling of Polyfluorinated Arenes with Heteroarenes via C-F/C-H Activation. Organic letters, 2013, 15, 940-943 |
| 1508952 | CIF | C18 H10 F2 N2 O | P -1 | 7.9035; 9.5259; 10.3445 103.883; 105.781; 98.414 | 708.66 | Yu, Daohong; Lu, Long; Shen, Qilong Palladium-Catalyzed Coupling of Polyfluorinated Arenes with Heteroarenes via C-F/C-H Activation. Organic letters, 2013, 15, 940-943 |
| 1508953 | CIF | C20 H26 N2 O2 | P 1 21/c 1 | 13.5018; 16.1917; 8.5746 90; 96.006; 90 | 1864.3 | Liu, Yuchen; Zhen, Wencui; Dai, Wei; Wang, Fen; Li, Xingwei Silver(I)-catalyzed addition-cyclization of alkyne-functionalized azomethines. Organic letters, 2013, 15, 874-877 |
| 1508954 | CIF | C17 H22 N2 O2 | P 1 21/n 1 | 11.0475; 8.7287; 16.2757 90; 98.023; 90 | 1554.11 | Liu, Yuchen; Zhen, Wencui; Dai, Wei; Wang, Fen; Li, Xingwei Silver(I)-catalyzed addition-cyclization of alkyne-functionalized azomethines. Organic letters, 2013, 15, 874-877 |
| 1508955 | CIF | C25 H28 N2 O8 | P 21 21 21 | 8.0877; 8.3009; 37.117 90; 90; 90 | 2491.9 | Yang, Shouliang; Xi, Yumeng; Zhu, Rong; Wang, Lin; Chen, Jiahua; Yang, Zhen Asymmetric Total Syntheses of Ansamacrolactams (+)-Q-1047H-A-A and (+)-Q-1047H-R-A. Organic letters, 2013, 15, 812-815 |
| 1508956 | CIF | C12 H9 N O4 | P 21 21 21 | 7.2756; 14.0819; 19.2518 90; 90; 90 | 1972.43 | Tsui, Gavin Chit; Ninnemann, Nina M.; Hosotani, Akihito; Lautens, Mark Expedient Synthesis of Chiral Oxazolidinone Scaffolds via Rhodium-Catalyzed Asymmetric Ring-Opening with Sodium Cyanate. Organic letters, 2013, 15, 1064-1067 |
| 1508957 | CIF | C13 H14 Cl Hg N O3 | P -1 | 6.9888; 10.8795; 19.1331 92.887; 91.033; 90.132 | 1452.69 | Atta, Ananta Kumar; Kim, Seul-Bi; Heo, Jungseok; Cho, Dong-Gyu Hg(II)-Mediated Intramolecular Cyclization Reaction in Aqueous Media and Its Application as Hg(II) Selective Indicator. Organic letters, 2013, 15, 1072-1075 |
| 1508958 | CIF | C26 H24 N O2 P S | P b c a | 11.06; 18.268; 21.576 90; 90; 90 | 4359 | Matano, Yoshihiro; Ohkubo, Hiroshi; Honsho, Yoshihito; Saito, Arihiro; Seki, Shu; Imahori, Hiroshi Synthesis and Charge-Carrier Transport Properties of Poly(phosphole P-alkanesulfonylimide)s. Organic letters, 2013, 15, 932-935 |
| 1508959 | CIF | C18 H18 N2 O2 S | C 1 2/c 1 | 23.455; 8.3832; 17.46 90; 109.101; 90 | 3244.1 | Kong, Chen; Jana, Navendu; Driver, Tom G. Rh(2)(II)-Catalyzed Selective Aminomethylene Migration from Styryl Azides. Organic letters, 2013, 15, 824-827 |
| 1508960 | CIF | C17 H13 F6 N3 S | P 1 21/c 1 | 15.8095; 13.1111; 8.6534 90; 98.017; 90 | 1776.1 | Liu, Gang; Pu, Shouzhi; Wang, Renjie Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings. Organic letters, 2013, 15, 980-983 |
| 1508961 | CIF | C18 H14 F6 N2 S | P 1 21/c 1 | 16.432; 13.0362; 8.6933 90; 93.67; 90 | 1858.4 | Liu, Gang; Pu, Shouzhi; Wang, Renjie Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings. Organic letters, 2013, 15, 980-983 |
| 1508962 | CIF | C19 H14 F6 N2 | P 1 21/c 1 | 16.571; 13.208; 8.2626 90; 90.383; 90 | 1808.4 | Liu, Gang; Pu, Shouzhi; Wang, Renjie Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings. Organic letters, 2013, 15, 980-983 |
| 1508963 | CIF | C18 H13 F6 N3 | P 1 21/c 1 | 8.0432; 16.9675; 12.9693 90; 105.807; 90 | 1703.03 | Liu, Gang; Pu, Shouzhi; Wang, Renjie Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings. Organic letters, 2013, 15, 980-983 |
| 1508964 | CIF | C25 H24 O4 | P 1 21 1 | 8.4742; 11.5299; 10.6213 90; 103.223; 90 | 1010.26 | Zhang, Shan-Jun; Zhang, Jun; Zhou, Qing-Qing; Dong, Lin; Chen, Ying-Chun Aminocatalytic Asymmetric exo-Diels-Alder Reaction with Methiodide Salts of Mannich Bases and 2,4-Dienals to Construct Chiral Spirocycles. Organic letters, 2013, 15, 968-971 |
| 1508965 | CIF | C17 H19 Br N2 O3 S | P 1 21/a 1 | 16.0215; 5.7478; 19.227 90; 96.725; 90 | 1758.4 | Gu, Peiming; Sun, Jian; Kang, Xiao-Yan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui A Formal Metal-Free N-Arylation via the Schmidt Reaction of Aromatic Aldehydes with an Azido Amine. Organic letters, 2013, 15, 1124-1127 |
| 1508966 | CIF | C29 H55 Cl Ir N3 P2 | P -1 | 12.2865; 14.517; 21.752 81.286; 73.769; 89.591 | 3679.6 | Guo, Le; Liu, Yinghua; Yao, Wubing; Leng, Xuebing; Huang, Zheng Iridium-Catalyzed Selective α-Alkylation of Unactivated Amides with Primary Alcohols. Organic letters, 2013, 15, 1144-1147 |
| 1508967 | CIF | C29 H54 Ir N3 P2 | P -1 | 8.0462; 10.9096; 18.613 83.081; 79.417; 71.196 | 1517.1 | Guo, Le; Liu, Yinghua; Yao, Wubing; Leng, Xuebing; Huang, Zheng Iridium-Catalyzed Selective α-Alkylation of Unactivated Amides with Primary Alcohols. Organic letters, 2013, 15, 1144-1147 |
| 1508968 | CIF | C16 H15 Br O2 | P 21 21 21 | 7.3452; 9.9405; 18.551 90; 90; 90 | 1354.5 | Keilitz, Juliane; Newman, Stephen G.; Lautens, Mark Enantioselective rh-catalyzed domino transformations of alkynylcyclohexadienones with organoboron reagents. Organic letters, 2013, 15, 1148-1151 |
| 1511776 | CIF | C21 H22 N2 O4 | P 1 21/c 1 | 9.0462; 15.0946; 14.9988 90; 102.966; 90 | 1995.8 | Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M. Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol. Biomacromolecules, 2013, 14, 771-780 |
| 1511777 | CIF | C20 H20 N2 O4 | P -1 | 7.062; 11.734; 12.337 106.625; 95.476; 105.337 | 928.4 | Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M. Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol. Biomacromolecules, 2013, 14, 771-780 |
| 1511778 | CIF | C19 H18 N2 O4 | C 1 2/c 1 | 17.5687; 4.777; 22.8294 90; 112.446; 90 | 1770.8 | Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M. Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol. Biomacromolecules, 2013, 14, 771-780 |
| 1511779 | CIF | C21 H26 F2 O4 | P 1 21/c 1 | 20.784; 10.63; 8.5364 90; 90.131; 90 | 1886 | Han, Changho; Salyer, Amy E.; Kim, Eun Hoo; Jiang, Xinyi; Jarrard, Rachel E.; Powers, Matthew S.; Kirchhoff, Aaron M.; Salvador, Tolani K.; Chester, Julia A.; Hockerman, Gregory H.; Colby, David A. Evaluation of Difluoromethyl Ketones as Agonists of the γ-Aminobutyric Acid Type B (GABAB) Receptor. Journal of medicinal chemistry, 2013, 56, 2456-2465 |
| 1511780 | CIF | C8 H4 D K O4 | P c a 21 | 9.598; 13.32; 6.4599 90; 90; 90 | 825.9 | Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B, 2013, 117, 4313-4324 |
| 1511781 | CIF | C8 H4 D K O4 | P c a 21 | 9.6164; 13.3282; 6.4869 90; 90; 90 | 831.42 | Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B, 2013, 117, 4313-4324 |
| 1511782 | CIF | C8 H5 K O4 | P c a 21 | 9.5955; 13.2964; 6.4663 90; 90; 90 | 825.01 | Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B, 2013, 117, 4313-4324 |
| 1511783 | CIF | C8 H5 K O4 | P c a 21 | 9.6172; 13.3264; 6.4876 90; 90; 90 | 831.47 | Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B, 2013, 117, 4313-4324 |
| 1511784 | CIF | C8 H8 B F2 Li N2 O4 | P 1 21/m 1 | 6.1948; 15.6492; 6.2164 90; 113.897; 90 | 550.98 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511785 | CIF | C4 H3 B F2 Li N O4 | P n m a | 8.0325; 6.1722; 14.8786 90; 90; 90 | 737.65 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511786 | CIF | C8 H9 B F2 Li N3 O4 | P n m a | 8.0286; 6.3995; 24.6301 90; 90; 90 | 1265.47 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511787 | CIF | C84 H144 B6 F12 Li6 N8 O48 | P 1 21/c 1 | 21.957; 12.906; 25.723 90; 122.419; 90 | 6153 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511788 | CIF | C13 H18 B2 F4 Li2 O17 | P 1 21/n 1 | 8.1606; 10.7284; 12.8309 90; 94.6107; 90 | 1119.71 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511789 | CIF | C22 H42 B2 F4 Li2 O14 | P 1 | 8.554; 8.841; 12.929 93.573; 108.72; 114.576 | 820.1 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511790 | CIF | C10 H20 B F2 Li O8 | C 1 2/c 1 | 25.731; 8.467; 16.921 90; 118.327; 90 | 3245 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511791 | CIF | C6 H6 B F2 Li O7 | P 1 21/m 1 | 6.443; 6.2831; 12.1294 90; 97.91; 90 | 486.35 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511792 | CIF | C11 H23 B F2 Li N3 O4 | P 1 21/c 1 | 13.626; 8.717; 18.413 90; 130.986; 90 | 1650.9 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511793 | CIF | C6 H4 B F2 Li N2 O4 | P n m a | 8.58; 7.781; 13.926 90; 90; 90 | 929.7 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511794 | CIF | C38 H45 B F2 N2 | P 1 21/c 1 | 14.0557; 11.4779; 19.3737 90; 98.905; 90 | 3087.9 | Vu, Thanh Truc; Dvorko, Marina; Schmidt, Elena Y.; Audibert, Jean-Frédéric; Retailleau, Pascal; Trofimov, Boris A.; Pansu, Robert B.; Clavier, Gilles; Méallet-Renault, Rachel Understanding the Spectroscopic Properties and Aggregation Process of a New Emitting Boron Dipyrromethene (BODIPY) The Journal of Physical Chemistry C, 2013, 117, 5373 |
| 1511795 | CIF | C14 H8 O2 S3 | P c a 21 | 27.724; 3.8968; 11.6473 90; 90; 90 | 1258.31 | Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C, 2013, 117, 6022 |
| 1511796 | CIF | C10 H6 O2 S2 | P 1 21/c 1 | 7.2737; 4.7577; 13.719 90; 96.938; 90 | 471.28 | Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C, 2013, 117, 6022 |
| 1511797 | CIF | C16 H8 O4 S3 | P 1 21/c 1 | 17.4433; 7.3062; 11.3446 90; 92.185; 90 | 1444.75 | Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C, 2013, 117, 6022 |
| 1511798 | CIF | C62 H72 N6 S8 Si | C 1 2/c 1 | 39.3141; 15.2065; 10.3691 90; 103.575; 90 | 6025.8 | Zhugayevych, Andriy; Postupna, Olena; Bakus II, Ronald C.; Welch, Gregory C.; Bazan, Guillermo C.; Tretiak, Sergei Ab Initio Study of a Molecular Crystal for Photovoltaics: Light Absorption, Exciton and Charge Carrier Transport The Journal of Physical Chemistry C, 2013, 117, 4920 |
| 1511799 | CIF | C3.665 D45.54 O30.33 | P m -3 n | 11.8679; 11.8679; 11.8679 90; 90; 90 | 1671.56 | Falenty, A.; Salamatin, A. N.; Kuhs, W. F. Kinetics of CO2-Hydrate Formation from Ice Powders: Data Summary and Modeling Extended to Low Temperatures The Journal of Physical Chemistry C, 2013, 117, 8443 |
| 1511800 | CIF | C12 H7 O P S3 | P 1 21/c 1 | 10.076; 8.291; 14.934 90; 99.516; 90 | 1230.42 | Ren, Yi; Biegger, Felix; Baumgartner, Thomas Molecular Engineering of the Physical Properties of Highly Luminescent π-Conjugated Phospholes The Journal of Physical Chemistry C, 2013, 117, 4748 |
| 1511801 | CIF | C3 H8 | P 1 21/n 1 | 3.8208; 11.912; 6.388 90; 91.11; 90 | 290.7 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511802 | CIF | C3 H8 | P 1 21/n 1 | 3.8036; 11.858; 6.3628 90; 91.083; 90 | 286.9 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511803 | CIF | C3 H8 | P 1 21/n 1 | 3.7895; 11.825; 6.34 90; 91.096; 90 | 284 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511804 | CIF | C3 H8 | P 1 21/n 1 | 3.7633; 11.778; 6.305 90; 90.85; 90 | 279.4 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511805 | CIF | C3 H8 | P 1 21/n 1 | 3.762; 11.781; 6.281 90; 90.84; 90 | 278.3 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511806 | CIF | C3 H8 | P 1 21/n 1 | 3.722; 11.676; 6.212 90; 90.86; 90 | 269.9 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511807 | CIF | C3 H8 | P 1 21/n 1 | 3.689; 11.651; 6.151 90; 90.48; 90 | 264.4 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511808 | CIF | C4 H10 | P 1 21/c 1 | 5.416; 4.893; 7.294 90; 104.78; 90 | 186.9 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511809 | CIF | C4 H10 | P 1 21/c 1 | 5.408; 4.887; 7.275 90; 104.65; 90 | 186 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511810 | CIF | C4 H10 | P 1 21/c 1 | 5.344; 4.833; 7.15 90; 104.63; 90 | 178.7 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511811 | CIF | C4 H10 | P 1 21/c 1 | 5.267; 4.759; 7.05 90; 103.85; 90 | 171.6 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511812 | CIF | C4 H10 | P 1 21/c 1 | 5.236; 4.735; 6.912 90; 104.11; 90 | 166.2 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511813 | CIF | C52 H50 O2 | P -1 | 12.28; 15.6586; 23.5675 76.397; 78.217; 74.138 | 4189.2 | Kumar, Shiv; Venkatramaiah, N.; Patil, Satish Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics The Journal of Physical Chemistry C, 2013, 117, 7236 |
| 1511814 | CIF | C60 H64 O2 | P 1 21/c 1 | 12.4695; 25.1015; 16.1011 90; 107.8; 90 | 4798.4 | Kumar, Shiv; Venkatramaiah, N.; Patil, Satish Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics The Journal of Physical Chemistry C, 2013, 117, 7236 |
| 1511815 | CIF | C5 H6 N2 O S | P 1 21/c 1 | 4.3315; 14.4396; 9.5617 90; 90.8638; 90 | 597.97 | Jarzembska, Katarzyna N.; Kamiński, Radosław; Wenger, Emmanuel; Lecomte, Claude; Dominiak, Paulina M. Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil The Journal of Physical Chemistry C, 2013, 117, 7764 |
| 1511816 | CIF | C5 H6 N2 O S | P 1 21/c 1 | 4.3135; 14.432; 9.5548 90; 91.17; 90 | 594.69 | Jarzembska, Katarzyna N.; Kamiński, Radosław; Wenger, Emmanuel; Lecomte, Claude; Dominiak, Paulina M. Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil The Journal of Physical Chemistry C, 2013, 117, 7764 |
| 1511817 | CIF | C28 H34 | P -1 | 6.663; 6.883; 12.477 94.702; 94.348; 103.397 | 552.1 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511818 | CIF | C38 H42 | P 1 21/c 1 | 8.7787; 15.673; 10.689 90; 102.668; 90 | 1434.9 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511819 | CIF | C33 H34 O2 | P 1 21/n 1 | 9.862; 49.707; 10.319 90; 93.959; 90 | 5046 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511820 | CIF | C50 H70 Na2 O14 S2 | P -1 | 12.824; 16.877; 25.494 103.863; 91.782; 108.619 | 5042 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511821 | CIF | C50 H58 | P -1 | 7.617; 10.296; 13.249 72.923; 75.218; 76.43 | 945.9 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511822 | CIF | C52 H54 O2 | P 1 21/c 1 | 15.938; 11.092; 23.495 90; 104.583; 90 | 4019.7 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511823 | CIF | C12 H20 Cd N6 O6 | P 43 21 2 | 7.3625; 7.3625; 30.591 90; 90; 90 | 1658.23 | Colaneri, Michael J.; Vitali, Jacqueline; Kirschbaum, Kristin Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-histidinato)cadmium Dihydrate. The journal of physical chemistry. A, 2013, 117, 3414-3427 |
| 1511824 | CIF | C12 H20 Cd N6 O6 | P 43 21 2 | 7.3515; 7.3515; 30.456 90; 90; 90 | 1646 | Colaneri, Michael J.; Vitali, Jacqueline; Kirschbaum, Kristin Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-histidinato)cadmium Dihydrate. The journal of physical chemistry. A, 2013, 117, 3414-3427 |
| 1511825 | CIF | C8 H3.3333 N6 O2.6667 | P 1 21/c 1 | 5.59928; 24.2233; 19.9883 90; 91.9071; 90 | 2709.57 | Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity The Journal of Physical Chemistry A, 2013, 117, 3614 |
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