Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1545755 | CIF | C22 H16 N4 O3 | P 1 21/n 1 | 23.507; 6.5815; 25.139 90; 104.31; 90 | 3768.6 | Laugeois, Maxime; Ling, Johanne; Férard, Charlène; Michelet, Véronique; Ratovelomanana-Vidal, Virginie; Vitale, Maxime R. Palladium(0)-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with Vinylcyclopropanes: An Entry to Stereodefined 2,3-Fused Cyclopentannulated Indoline Derivatives Organic Letters, 2017 |
| 1545756 | CIF Paper | C14 H11 N O Se | P 1 21/c 1 | 15.561; 5.9415; 12.471 90; 92.799; 90 | 1151.6 | Wang, Liyun; Xu, Ying; Guo, Zhiqiang; Wei, Xuehong 2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one IUCrData, 2017, 2, x170532 |
| 1545757 | CIF | C19 H10 Br2 O | C 1 2/c 1 | 17.7623; 7.2919; 23.6434 90; 102.092; 90 | 2994.4 | Gu, Xiao; Li, Huiyan; Shan, Bowen; Liu, Zhifeng; Miao, Qian Synthesis, Structure, and Properties of Tetrabenzo[7]circulene. Organic letters, 2017, 19, 2246-2249 |
| 1545758 | CIF | C25 H20.5 Cl2.5 N O2 | C 1 c 1 | 13.7789; 14.858; 22.728 90; 98.14; 90 | 4606.2 | Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether. Organic letters, 2017, 19, 2262-2265 |
| 1545759 | CIF | C21 H19 N O2 | P -1 | 8.078; 8.37; 12.38 100.58; 101.15; 94.63 | 801 | Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether. Organic letters, 2017, 19, 2262-2265 |
| 1545760 | CIF | C26 H19 N O2 | P 21 21 21 | 7.65703; 9.51508; 26.1253 90; 90; 90 | 1903.42 | Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction Chem. Sci., 2017 |
| 1545761 | CIF | C27 H30 B N O4 | P 21 21 21 | 8.52078; 15.6118; 17.52 90; 90; 90 | 2330.59 | Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction Chem. Sci., 2017 |
| 1545762 | CIF | C25 H32 B N O6 | P 21 21 21 | 11.0936; 14.6662; 14.75 90; 90; 90 | 2399.84 | Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction Chem. Sci., 2017 |
| 1545763 | CIF | C8.58 H2 Co2 O6.58 | R -3 | 25.8262; 25.8262; 6.8315 90; 90; 120 | 3946.1 | Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017 |
| 1545764 | CIF | C8 H2 Co2 N7.55 O6 | R -3 | 25.81; 25.81; 6.901 90; 90; 120 | 3981 | Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017 |
| 1545765 | CIF | C8 H2 Co2 O6 | R -3 | 25.892; 25.892; 6.8482 90; 90; 120 | 3975.9 | Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017 |
| 1545766 | CIF | C8 H2 Co2 O6 P5.28 | R -3 | 25.7348; 25.7348; 6.8385 90; 90; 120 | 3922.2 | Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017 |
| 1545767 | CIF | C8 H2 Ar2 Co2 O6 | R -3 | 25.86; 25.86; 6.8678 90; 90; 120 | 3977.5 | Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017 |
| 1545768 | CIF | C8 H2 Co2 O17.92 | R -3 | 25.7599; 25.7599; 6.8766 90; 90; 120 | 3951.8 | Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017 |
| 1545769 | CIF | C10 H10 Co2 O6 | R -3 | 25.866; 25.866; 6.8457 90; 90; 120 | 3966.5 | Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017 |
| 1545770 | CIF | C9.19 H2 Co2 O7.19 | R -3 | 25.853; 25.853; 6.8494 90; 90; 120 | 3964.7 | Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017 |
| 1545771 | CIF | C72 H83 Cl0 F0 N6 O0 P Pt2 S | P 1 21/c 1 | 13.7722; 39.9563; 17.7098 90; 97.536; 90 | 9661.3 | Leung, Sammual Yu-Lut; Evariste, Sloane; Lescop, Christophe; Hissler, Muriel; Yam, Vivian Wing-Wah Supramolecular assembly of a phosphole-based moiety into nanostructures dictated by alkynylplatinum(ii) terpyridine complexes through non-covalent Pt⋯Pt and π‒π stacking interactions: synthesis, characterization, photophysics and self-assembly behaviors Chem. Sci., 2017 |
| 1545772 | CIF | C19 H38 Fe2 N6 O19 P2 | P n a 21 | 21.3916; 9.4099; 16.1292 90; 90; 90 | 3246.69 | Du, Kang; Waters, Emily Alex; Harris, David David Ratiometric Quantitation of Redox Status with a Molecular Fe2 Magnetic Resonance Probe Chem. Sci., 2017 |
| 1545773 | CIF | C22 H19 F3 O3 | P 1 | 8.7678; 10.7305; 10.8657 67.757; 88.911; 87.411 | 945.24 | Zhang, Junliang; Zhou, Wei; Wang, Hua-Min; Tao, Mengna; Zhu, Chao-Ze; Lin, Tao-Yan Phosphine-catalyzed Enantioselective [3+2] Cycloadditions of -Substituted Allenoates with β-Perfluoroalkyl Enones Chem. Sci., 2017 |
| 1545774 | CIF | C30 H37 Au F6 O P Sb | P 1 21/c 1 | 12.9887; 15.9169; 15.3964 90; 106.699; 90 | 3048.8 | Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds Chem. Sci., 2017 |
| 1545775 | CIF | C22 H25 Au I P | P 1 21 1 | 8.429; 10.7662; 11.6292 90; 94.266; 90 | 1052.41 | Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds Chem. Sci., 2017 |
| 1545776 | CIF | C64 H82 | I 1 2/a 1 | 16.3409; 9.0662; 35.1804 90; 101.985; 90 | 5098.4 | Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires The Journal of Physical Chemistry C, 2017, 121, 9202 |
| 1545777 | CIF | Ba F6 Zr | C m m a | 7.681; 11.357; 5.511 90; 90; 90 | 480.742 | Mehlhorn, Von B; Hoppe, R Neue Hexafluorozirkonate(IV): BaZrF6, PbZrF6, EuZrF6, SrZrF6 Zeitschrift fur anorganische und allgemeine Chemie, 1976, 425, 180-188 |
| 1545778 | CIF | C14 H12 O2 Se | P 1 21/c 1 | 7.4743; 17.3909; 10.0665 90; 107.933; 90 | 1244.92 | Mandal, Anup; Dana, Suman; Sahoo, Harekrishna; Grandhi, Gowri Sankar; Baidya, Mahiuddin Ruthenium(II)-Catalyzed ortho-C-H Chalcogenation of Benzoic Acids via Weak O-Coordination: Synthesis of Chalcogenoxanthones. Organic letters, 2017, 19, 2430-2433 |
| 1545779 | CIF | C19 H14 O2 Se2 | P -1 | 10.126; 12.9083; 13.2893 77.953; 80.076; 82.458 | 1665.16 | Mandal, Anup; Dana, Suman; Sahoo, Harekrishna; Grandhi, Gowri Sankar; Baidya, Mahiuddin Ruthenium(II)-Catalyzed ortho-C-H Chalcogenation of Benzoic Acids via Weak O-Coordination: Synthesis of Chalcogenoxanthones. Organic letters, 2017, 19, 2430-2433 |
| 1545780 | CIF | C25 H21 Br N2 O3 S | P 1 21/c 1 | 8.729; 9.996; 25.71 90; 98.72; 90 | 2217.4 | Yi, Liang; Zhang, Yuyang; Zhang, Zhao-Fei; Sun, Dequn; Ye, Song Synthesis of Dihydropyridinone-Fused Indoles and α-Carbolines via N-Heterocyclic Carbene-Catalyzed [3 + 3] Annulation of Indolin-2-imines and Bromoenals. Organic letters, 2017, 19, 2286-2289 |
| 1545781 | CIF | C14 H21 N O4 S | I 1 2 1 | 14.811; 5.342; 19.823 90; 99.03; 90 | 1549 | Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A. Organic letters, 2017, 19, 2394-2397 |
| 1545782 | CIF | C12 H18 Br N O3 | P 1 21 1 | 10.006; 6.2513; 10.8417 90; 93.336; 90 | 677 | Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A. Organic letters, 2017, 19, 2394-2397 |
| 1545783 | CIF | C7 H4 Br Cl O2 | P 1 21/n 1 | 7.2271; 8.948; 12.1887 90; 105.819; 90 | 758.37 | Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017 |
| 1545784 | CIF | C7 H4 Br Cl O2 | P 1 21/n 1 | 7.2738; 9.0627; 11.7233 90; 102.916; 90 | 753.25 | Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017 |
| 1545785 | CIF | C7 H4 Br Cl O2 | P 1 21/n 1 | 7.2577; 9.0397; 11.8561 90; 103.904; 90 | 755.06 | Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017 |
| 1545786 | CIF | C7 H4 Br Cl O2 | P 1 21/n 1 | 7.256; 9.0227; 11.9855 90; 104.676; 90 | 759.07 | Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017 |
| 1545787 | CIF | C7 H4 Br Cl O2 | P -1 | 3.8949; 8.2939; 11.8408 89.014; 89.991; 78.651 | 374.97 | Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017 |
| 1545788 | CIF | C7 H4 Br Cl O2 | P 1 21/n 1 | 7.2385; 8.9976; 12.1313 90; 105.406; 90 | 761.71 | Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017 |
| 1545789 | CIF | C7 H4 Br Cl O2 | P -1 | 3.9007; 8.307; 11.9258 88.909; 89.987; 78.731 | 378.91 | Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017 |
| 1545790 | CIF | C7 H4 Br Cl O2 | P 1 21/n 1 | 7.2399; 9.0087; 12.0539 90; 105.036; 90 | 759.26 | Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017 |
| 1545791 | CIF | C16 H36 Cl0.07 I4.93 N | P 1 21/c 1 | 19.948; 28.361; 9.3012 90; 96.59; 90 | 5227.3 | Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes Faraday Discuss., 2017 |
| 1545792 | CIF | C16 H36 I3 N | P -1 | 9.463; 15.553; 15.805 83.658; 74.285; 78.5 | 2190.3 | Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes Faraday Discuss., 2017 |
| 1545793 | CIF | B30 Nd5 O60 Rb15 | R 3 2 :H | 13.52363; 13.52363; 31.1617 90; 90; 120 | 4935.6 | V.V. Atuchin; A.K. Subanakov; A.S. Aleksandrovsky; B.G. Bazarov; J.G. Bazarova; S.G. Dorzhieva; T.A. Gavrilova; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; Yu.L. Tushinova; A.P. Yelisseyev Exploration of structural, thermal, vibrational and spectroscopic properties of new noncentrosymmetric double borate Rb3NdB6O12 Advanced Powder Technology, 2017, 28, 1309-1315 |
| 1545794 | CIF | C68 H78 N2 O2 S4 | P -1 | 6.024; 12.4238; 20.231 78.658; 86.669; 78.084 | 1452.31 | Ganguly, Anindya; Zhu, Jianfeng; Kelly, Timothy L. Effect of Cross-Conjugation on Derivatives of Benzoisoindigo, an Isoindigo Analogue with an Extended π-System The Journal of Physical Chemistry C, 2017, 121, 9110 |
| 1545795 | CIF | La1.33 Mo4 Na1.33 O16 Sr1.33 | I 41/a :2 | 5.36033; 5.36033; 11.82739 90; 90; 90 | 339.838 | Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163 |
| 1545796 | CIF | Er0.27 La1.07 Mo4 Na1.33 O16 Sr1.33 | I 41/a :2 | 5.34061; 5.34061; 11.77693 90; 90; 90 | 335.903 | Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163 |
| 1545797 | CIF | Er0.13 La0.93 Mo4 Na1.33 O16 Sr1.33 Yb0.27 | I 41/a :2 | 5.32926; 5.32926; 11.74788 90; 90; 90 | 333.652 | Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163 |
| 1545798 | CIF | Er0.07 La0.67 Mo4 Na1.33 O16 Sr1.33 Yb0.6 | I 41/a :2 | 5.30628; 5.30628; 11.68195 90; 90; 90 | 328.924 | Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163 |
| 1545799 | CIF | C13 H13 N O | P 1 21/c 1 | 11.2899; 10.188; 8.5203 90; 93.637; 90 | 978.04 | Hu, Feng; Nareddy, Pradeep; Lalancette, Roger; Jordan, Frank; Szostak, Michal σ N-C Bond Difunctionalization in Bridged Twisted Amides: Sew-and-Cut Activation Approach to Functionalized Isoquinolines. Organic letters, 2017, 19, 2386-2389 |
| 1545800 | CIF | C15 H28 N4 O7 S2 | P 1 21/c 1 | 7.8403; 12.7512; 10.5247 90; 91.486; 90 | 1051.83 | Deng, Jie; Xu, Bao-Hua; Wang, Yao-Feng; Mo, Xian-En; Zhang, Rui; Li, You; Zhang, Suo-Jiang Brønsted acidic ionic liquid-catalyzed dehydrative formation of isosorbide from sorbitol: introduction of a continuous process Catal. Sci. Technol., 2017 |
| 1545801 | CIF | C8 H24 Br4 N2 Pb | P b c a | 8.3343; 8.2225; 27.6171 90; 90; 90 | 1892.57 | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017 |
| 1545802 | CIF | C4 H14 Br4 N2 Pb | P -1 | 8.0135; 8.427; 10.7367 78.957; 69.565; 89.542 | 665.47 | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017 |
| 1545803 | CIF | C5 H11 Br4 N3 Pb | P 1 21/c 1 | 10.6055; 11.6091; 11.9312 90; 110.061; 90 | 1379.8 | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017 |
| 1545804 | CIF | C6 H18 Br4 N2 Pb | C 1 2/c 1 | 24.4632; 8.0039; 8.1963 90; 99.745; 90 | 1581.69 | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017 |
| 1545805 | CIF | C5 H11 Br4 N3 Pb | P 1 21/c 1 | 10.5412; 11.5023; 11.925 90; 109.996; 90 | 1358.7 | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017 |
| 1545806 | CIF | C8 H22 Br4 N2 Pb | P 1 21/c 1 | 13.807; 7.9891; 8.2769 90; 104.34; 90 | 884.5 | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017 |
| 1545807 | CIF | C8 H14 Br4 N2 Pb | P 1 21/c 1 | 7.7688; 8.5108; 24.6314 90; 95.197; 90 | 1621.9 | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017 |
| 1545808 | CIF | C24 H60 Br12 N6 O12 Pb3 | P 1 21/c 1 | 24.7721; 8.0709; 56.964 90; 97.137; 90 | 11300.7 | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017 |
| 1545809 | CIF | C32 H36 N4 O4 | P 1 21/n 1 | 7.8566; 21.336; 8.3872 90; 90.911; 90 | 1405.8 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545810 | CIF | C30 H34 N2 O4 S2 | P 1 21/n 1 | 7.7971; 22.217; 7.9179 90; 91.479; 90 | 1371.1 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545811 | CIF | C43 H49 N5 O4 | P -1 | 7.409; 8.781; 15.36 81.63; 86.57; 78.64 | 969 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545812 | CIF | C29 H30 N2 O2 | P 1 21/c 1 | 7.5571; 24.125; 12.9363 90; 92.034; 90 | 2357 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545813 | CIF | C34 H38 N2 O4 | P 1 21/n 1 | 8.292; 20.615; 8.47 90; 92.435; 90 | 1446.6 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545814 | CIF | C44 H46 N6 O4 | P -1 | 7.485; 8.797; 14.171 96.618; 93.306; 91.826 | 924.6 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545815 | CIF | C42 H44 N4 O4 S2 | P -1 | 7.492; 9.069; 13.643 98.069; 92.516; 91.428 | 916.5 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545816 | CIF | C90 H96 N10 O8 | P -1 | 7.3795; 8.8871; 29.533 89.495; 84.054; 85.281 | 1919.9 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545817 | CIF | C75 H73 N8 O6 | P -1 | 7.478; 8.739; 23.37 92.36; 90.29; 93.131 | 1524 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545818 | CIF | C46 H48 N4 O4 | P -1 | 7.528; 8.948; 14.11 96.219; 94.61; 90.598 | 942 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545819 | CIF | C44 H48 N6 O4 | P -1 | 7.4957; 8.7882; 14.308 97.049; 94.334; 91.781 | 931.9 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545820 | CIF | C42 H46 N4 O4 S2 | P -1 | 7.531; 9.026; 13.941 98.18; 92.03; 91.235 | 937 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545821 | CIF | C75 H75 N8 O6 | P -1 | 7.4611; 8.7285; 23.6219 92.85; 91.347; 93.317 | 1533.34 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545822 | CIF | C77 H79 N8 O5 | P -1 | 7.4709; 8.7326; 23.6381 92.857; 91.317; 93.293 | 1537.18 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545823 | CIF | C77 H77 N6 O6 | P -1 | 7.4914; 8.8265; 23.583 92.722; 92.976; 91.626 | 1554.77 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545824 | CIF | C46 H50 N4 O4 | P -1 | 7.5407; 8.9198; 14.284 96.506; 96.093; 90.634 | 948.9 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545825 | CIF | C27 H38 N2 O2 | P 1 21/c 1 | 8.356; 24.894; 11.744 90; 96.324; 90 | 2428 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545826 | CIF | C50 H52 N4 O4 | P -1 | 7.546; 9.4647; 14.8318 85.58; 77.14; 86.77 | 1028.8 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545827 | CIF | C42 H48 N6 O4 | P -1 | 7.324; 8.723; 15.107 82.27; 88.73; 78.76 | 938 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545828 | CIF | C31 H30 N2 O2 | P 1 21/c 1 | 8.0059; 24.903; 12.0892 90; 91.065; 90 | 2409.8 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545829 | CIF | C44 H50 N4 O4 | P -1 | 7.195; 8.865; 15.981 80.52; 84.2; 79.19 | 985 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545830 | CIF Paper | C9 H11 N5 O4 S2 | P 1 21/n 1 | 4.9138; 33.192; 8.3659 90; 99.52; 90 | 1345.7 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545831 | CIF Paper | C14 H16 N6 O5 S2 | P -1 | 6.8501; 11.3563; 12.3387 82.288; 81.856; 75.804 | 916.19 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545832 | CIF Paper | C10 H19 N5 O5 S2 | P -1 | 4.9969; 11.6983; 14.6244 70.868; 81.892; 80.262 | 792.65 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545833 | CIF Paper | C5 H9 N4 O3.5 S2.5 | C 1 2/c 1 | 52.62; 4.816; 17.814 90; 106.785; 90 | 4322 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545834 | CIF Paper | C10 H13 N5 O4 S2 | P 1 c 1 | 11.3972; 18.1641; 10.338 90; 97.046; 90 | 2124 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545835 | CIF Paper | C10 H12 N6 O4 S2 | P -1 | 5.1477; 10.8147; 14.2604 69.797; 85.463; 81.889 | 737.2 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545836 | CIF Paper | C15 H17 N7 O5 S2 | P -1 | 7.0347; 10.2539; 13.7934 81.685; 83.028; 88.283 | 977.14 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545837 | CIF Paper | C10 H15 N5 O6 S2 | P -1 | 7.7872; 10.213; 10.2464 88.192; 76.587; 77.996 | 775.22 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545838 | CIF Paper | C14 H24 N6 O5 S2 | P 1 21/c 1 | 9.66166; 23.4685; 8.84352 90; 100.773; 90 | 1969.88 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545839 | CIF | C38 H52 N6 O4 | P -1 | 8.8712; 10.1819; 11.2862 114.633; 93.749; 101 | 897.56 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545840 | CIF | C120 H160 N16 O17 | C 1 2/c 1 | 15.533; 8.564; 21.8 90; 93.873; 90 | 2893 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545841 | CIF | C36 H48 N6 O6 | P 1 21/c 1 | 15.6084; 13.4786; 17.2209 90; 90.2; 90 | 3622.9 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545842 | CIF | C64 H56 N4 O4 | P -1 | 9.0005; 10.0381; 14.4894 108.432; 101.78; 90.484 | 1212 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545843 | CIF | C29 H31 N3 O2 | P -1 | 8.9943; 9.5169; 14.927 74.162; 77.589; 89.115 | 1199.2 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545844 | CIF | C62 H54 N6 O4 | P -1 | 9.034; 9.889; 14.505 107.761; 101.019; 91.432 | 1206.5 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545845 | CIF | C54 H54 N6 O6 | P -1 | 8.6332; 9.0194; 14.869 105.2; 91.263; 91.519 | 1116.4 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545846 | CIF | C44 H44 N6 O6 | P -1 | 7.812; 8.763; 14.3 95.009; 95.415; 101.04 | 950.9 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545847 | CIF | C56 H56 N6 O8 | P -1 | 10.151; 11.2084; 12.3363 102.012; 105.153; 112.368 | 1176.1 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545848 | CIF | C38 H46 N4 O4 S2 | P -1 | 8.662; 10.289; 11.523 65.003; 76.93; 80.277 | 903.5 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545849 | CIF | C24 H23 N2 O2 | P -1 | 8.971; 10.078; 11.666 109.665; 94.353; 90.742 | 989.5 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545850 | CIF | C42 H58 N4 O4 | P 1 21/c 1 | 11.4579; 11.8325; 14.9792 90; 107.229; 90 | 1939.7 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545851 | CIF | C46 H44 N6 O4 | P -1 | 8.983; 12.712; 17.561 89.485; 76.291; 82.933 | 1933 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545852 | CIF | C23 H22 N3 O2 | P -1 | 8.778; 10.491; 12.095 66.387; 81.548; 69.631 | 956.7 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545853 | CIF | C46 H50 N4 O4 | P -1 | 8.921; 10.723; 10.954 67.417; 81.183; 78.367 | 944.3 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545854 | CIF | C40 H48 N6 O6 | P -1 | 8.284; 8.564; 14.6 78.65; 87.26; 64.4 | 915 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545855 | CIF | C44 H40 N6 O6 | P -1 | 9.012; 11.241; 18.355 94.296; 93.207; 92.248 | 1850 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545856 | CIF | C56 H48 N8 O6 | P -1 | 7.576; 9.081; 16.503 96.651; 90.601; 91.433 | 1127.3 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545857 | CIF | C44 H46 N4 O6 | P 1 21/c 1 | 8.876; 11.941; 17.98 90; 97.072; 90 | 1891.2 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545858 | CIF | C66 H84 I6 N12 Zn3 | C 1 2/c 1 | 34.376; 15.0832; 29.6413 90; 100.675; 90 | 15103 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545859 | CIF | C73.5 H78.76 I6 N12 Zn3 | C 1 2/c 1 | 35.0725; 14.8911; 30.9658 90; 101.956; 90 | 15821.6 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545860 | CIF | C285 H317 I24 N48 O15 Zn12 | P 1 21 1 | 32.8072; 14.9123; 34.9062 90; 105.822; 90 | 16430.2 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545861 | CIF | C61.47 H64.79 I6.01 N12 O4.06 Zn3 | C 1 2/c 1 | 34.4746; 15.0255; 30.1535 90; 99.681; 90 | 15397 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545862 | CIF | C75 H72 I6 N12 O10.5 Zn3 | C 1 2/c 1 | 34.1414; 14.5641; 34.9597 90; 108.633; 90 | 16472.2 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545863 | CIF | C67 H66 I6 N12 O9 Zn3 | C 1 2/c 1 | 34.9043; 14.955; 30.3469 90; 100.074; 90 | 15596.7 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545864 | CIF | C69.69 H80.8 I6 N14.11 Zn3 | C 1 2/c 1 | 36.8116; 14.6974; 30.6993 90; 103.07; 90 | 16179.1 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545865 | CIF | C58.32 H48.8 I6 N14.2 O6.61 Zn3 | C 1 2/c 1 | 32.5791; 15.2458; 29.0346 90; 98.398; 90 | 14266.7 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545866 | CIF | C64.44 H65.6 I6 N12 O1.48 Zn3 | C 1 2/c 1 | 35.1288; 14.767; 30.8649 90; 101.432; 90 | 15693.4 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545867 | CIF | C120.9 H108 I11.99 N24 O12.59 Zn5.99 | P -1 | 14.8292; 17.9234; 29.9062 96.836; 93.529; 110.142 | 7364.6 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545868 | CIF | C123 H113.6 I12 N24 O12.14 Zn6 | P -1 | 14.8303; 17.913; 29.8943 96.803; 93.488; 110.229 | 7355 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545869 | CIF | C123 H112.85 I11.99 N24 O12.39 Zn5.99 | P -1 | 14.8303; 17.913; 29.8943 96.803; 93.488; 110.229 | 7355 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545870 | CIF | C71.25 H57.96 Br1.92 I6 N12 Zn3 | C 1 2/c 1 | 35.8691; 14.8864; 31.2823 90; 102.711; 90 | 16294.2 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545871 | CIF | C60.92 H58.15 I6 N12 O5.89 Zn3 | C 1 2/c 1 | 34.0465; 14.9235; 30.8377 90; 100.629; 90 | 15399.6 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545872 | CIF | F11 Pr Zr2 | I b a m | 7.716; 10.006; 10.897 90; 90; 90 | 841.3 | Laval, J P; Abaouz, A Crystal chemistry of anion-excess ReO3-related phases II; Crystal structure of PrZr2F11 Journal of Solid State Chemistry, 1992, 100, 90-100 |
| 1545873 | CIF | C29 H35 N5 O5 S4 | P 1 21 1 | 10.8556; 8.4638; 17.443 90; 96.664; 90 | 1591.8 | Antczak, Monika I.; Zhang, Yongyou; Wang, Changguang; Doran, Jennifer; Naidoo, Jacinth; Voruganti, Sukesh; Williams, Noelle S.; Markowitz, Sanford D.; Ready, Joseph M. Inhibitors of 15-Prostaglandin Dehydrogenase to Potentiate Tissue Repair. Journal of medicinal chemistry, 2017 |
| 1545874 | CIF | C6 H11 F4 Li N4 O8 S4 | P 1 21/a 1 | 8.9922; 9.6614; 10.2093 90; 105.422; 90 | 855.02 | Matsumoto, Kazuhiko; Nishiwaki, Erisa; Hosokawa, Takafumi; Tawa, Shinya; Nohira, Toshiyuki; Hagiwara, Rika Thermal, Physical, and Electrochemical Properties of Li[N(SO2F)2]-[1-Ethyl-3-methylimidazolium][N(SO2F)2] Ionic Liquid Electrolytes for Li Secondary Batteries Operated at Room and Intermediate Temperatures The Journal of Physical Chemistry C, 2017, 121, 9209 |
| 1545875 | CIF | C14 H14 S4 | P 1 21/c 1 | 14.0418; 6.1192; 17.399 90; 101.306; 90 | 1465.99 | Cerda, Matthew M.; Hammers, Matthew D.; Earp, Mary S.; Zakharov, Lev N.; Pluth, Michael D. Applications of Synthetic Organic Tetrasulfides as H2S Donors. Organic letters, 2017, 19, 2314-2317 |
| 1545876 | CIF | C23 H20 N2 O3 S | P 1 21/n 1 | 10.02; 11.238; 17.984 90; 101.851; 90 | 1981.9 | Stefan, Mihaela Corina; Dissanayake, Dushanthi; McCandless, Gregory T.; Biewer, Michael C. Systematic variation of thiophene substituents in photochromic spiropyrans Photochem. Photobiol. Sci., 2017 |
| 1545877 | CIF | C23 H19 Br N2 O3 S | P 1 21/c 1 | 19.967; 11.759; 8.67 90; 94.66; 90 | 2028.9 | Stefan, Mihaela Corina; Dissanayake, Dushanthi; McCandless, Gregory T.; Biewer, Michael C. Systematic variation of thiophene substituents in photochromic spiropyrans Photochem. Photobiol. Sci., 2017 |
| 1545878 | CIF | Ba F11 Na Zr2 | I 41/a :2 | 8.223; 8.223; 23.61 90; 90; 90 | 1596.5 | Laval, J. P.; Abaouz, A. Crystal structure of BaNaZr2F11 : a phase recrystallizing from fluorozirconate glasses Journal of Solid State Chemistry, 1992, 101, 18-25 |
| 1545879 | CIF | C24 H23 N O6 S | P 1 21/n 1 | 10.3695; 11.2448; 19.3109 90; 94.823; 90 | 2243.7 | Xing, Jiaojiao; Lei, Yu; Gao, Yu-Ning; Shi, Min PPh3-Catalyzed [3 + 2] Spiroannulation of 1C,3N-Bisnucleophiles Derived from Secondary β-Ketoamides with δ-Acetoxy Allenoate: A Route to Functionalized Spiro N-Heterocyclic Derivatives. Organic letters, 2017, 19, 2382-2385 |
| 1545880 | CIF | C22 H27 N O6 S | P 1 21/c 1 | 15.5866; 9.8958; 14.265 90; 98.14; 90 | 2178.1 | Xing, Jiaojiao; Lei, Yu; Gao, Yu-Ning; Shi, Min PPh3-Catalyzed [3 + 2] Spiroannulation of 1C,3N-Bisnucleophiles Derived from Secondary β-Ketoamides with δ-Acetoxy Allenoate: A Route to Functionalized Spiro N-Heterocyclic Derivatives. Organic letters, 2017, 19, 2382-2385 |
| 1545881 | CIF | C24 H14 Co2 O6 | P -1 | 8.4376; 10.1022; 13.0614 98.593; 92.973; 100.142 | 1080.1 | Wang, Gongbao; Lindeboom, Erik-Jan; Heerewaarden, Chris van; Minnaard, Adriaan J. Synthesis of Ene-yne-enes by Nickel-Catalyzed Double SN2’ substitution of 1,6-Dichlorohexa-2,4-diyne Catal. Sci. Technol., 2017 |
| 1545882 | CIF | F12 O Tl2 Zr3 | R -3 m :H | 7.703; 7.703; 30.017 90; 90; 120 | 1542.5 | Mansouri, I.; Avignant, D. Crystal structure of a new oxyfluoride : Tl2Zr3OF12 Journal of Solid State Chemistry, 1984, 51, 91-99 |
| 1545883 | CIF | C36 H54 O6 | P 21 21 21 | 10.8783; 11.8013; 26.178 90; 90; 90 | 3360.68 | Guo, Yi; Zhang, Na; Chen, Chunmei; Huang, Jinfeng; Li, Xiao-Nian; Liu, Junjun; Zhu, Hucheng; Tong, Qingyi; Zhang, Jinwen; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui Tricyclic Polyprenylated Acylphloroglucinols from St John's Wort, Hypericum perforatum. Journal of natural products, 2017 |
| 1545884 | CIF | C23 H23 N O4 S | P 1 21 1 | 12.542; 5.445; 15.507 90; 94.578; 90 | 1055.6 | Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters. Organic letters, 2017, 19, 2322-2325 |
| 1545885 | CIF | C16 H22 O2 | P 1 21 1 | 8.0035; 9.1507; 9.4828 90; 98.897; 90 | 686.14 | Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias Asymmetric Synthesis of Carbocyclic Propellanes. Organic letters, 2017 |
| 1545886 | CIF | C19 H19 Br O3 | P 21 21 21 | 7.3483; 12.121; 18.3918 90; 90; 90 | 1638.13 | Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias Asymmetric Synthesis of Carbocyclic Propellanes. Organic letters, 2017 |
| 1545887 | CIF | C28 H28 N2 O10 | P 1 | 7.3394; 12.4108; 14.7998 107.312; 100.068; 91.14 | 1263.48 | Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias Asymmetric Synthesis of Carbocyclic Propellanes. Organic letters, 2017 |
| 1545888 | CIF | C25 H25 N O2 S2 | P -1 | 8.6354; 9.6432; 14.338 100.662; 96.56; 112.543 | 1060.91 | Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417 |
| 1545889 | CIF | C21 H19 F6 N O3 S | P 1 21/c 1 | 8.3336; 20.386; 12.286 90; 100.225; 90 | 2054.1 | Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417 |
| 1545890 | CIF | C19 H21 N O3 S | P 1 21/c 1 | 6.0294; 32.1226; 8.9796 90; 100.835; 90 | 1708.16 | Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417 |
| 1545891 | CIF | C33 H30 N2 O2 S | P 1 21/c 1 | 12.193; 15.497; 28.3046 90; 93.718; 90 | 5337 | Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417 |
| 1545892 | CIF | C28 H28 N2 O2 S | P -1 | 8.6014; 15.9764; 18.922 65.929; 81.466; 88.644 | 2345.9 | Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417 |
| 1545893 | CIF | C4 H12 Cu2 I2 N2 | P 42/n | 11.7663; 11.7663; 7.5184 90; 90; 90 | 1040.89 | Jin, Xiaodong; Davies, Robert P. Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems Catal. Sci. Technol., 2017 |
| 1545894 | CIF | C20 H65 Cu2 I4 N15 | P 21 21 21 | 9.18796; 12.5494; 35.7355 90; 90; 90 | 4120.42 | Jin, Xiaodong; Davies, Robert P. Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems Catal. Sci. Technol., 2017 |
| 1545895 | CIF | C8 H24 Cu2 I2 N4 | P 1 21/c 1 | 13.3569; 11.5554; 11.4189 90; 95.026; 90 | 1755.7 | Jin, Xiaodong; Davies, Robert P. Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems Catal. Sci. Technol., 2017 |
| 1545896 | CIF | F15 Pr Zr3 | R 3 m :H | 12.316; 12.316; 6.115 90; 90; 120 | 803.3 | Laval, J. P.; Abaouz, A. Crystal chemistry of anion-excess ReO3-related phases : crystal structure of beta-PrZr3F15 Journal of Solid State Chemistry, 1992, 96, 324-331 |
| 1545897 | CIF | C4 H15 Ga N2 O8 P2 | P n a a | 9.109; 11.021; 11.987 90; 90; 90 | 1203.4 | Ann M. Chippindale; Andrew D. Bond; Ashley D. Law; Andrew R. Cowley Synthesis and Characterization of [NH3(CH2)4NH3][Ga(PO4)(PO3OH)], a One-Dimensional Gallophosphate Journal of Solid State Chemistry, 1998, 136, 227-232 |
| 1545898 | CIF | C22 H23 N O2 Si | P 21 21 21 | 9.3782; 11.6315; 17.149 90; 90; 90 | 1870.7 | Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L. Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes. Organic letters, 2017, 19, 2482-2485 |
| 1545899 | CIF | C20 H24 N2 | P 1 21/n 1 | 16.6451; 5.8536; 19.416 90; 113.818; 90 | 1730.7 | Zhou, Rong; Liu, Haiwang; Tao, Hairong; Yu, Xingjian; Wu, Jie Metal-free direct alkylation of unfunctionalized allylic/benzylic sp3 CH bonds via photoredox induced radical cation deprotonation Chem. Sci., 2017 |
| 1545900 | CIF | C25 H31 N O2 | P 1 21 1 | 5.4583; 10.396; 19.0896 90; 98.026; 90 | 1072.62 | Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017, 60, 3606-3617 |
| 1545901 | CIF | C22 H28 O4 | P 21 21 21 | 6.1077; 15.287; 21.901 90; 90; 90 | 2044.9 | Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017 |
| 1545902 | CIF | C23 H27 N O4 | P 1 21 1 | 10.0156; 6.613; 15.9543 90; 91.121; 90 | 1056.5 | Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017 |
| 1545903 | CIF | C20 H19 Br N2 O4 | P 1 21/c 1 | 28.3676; 12.0527; 11.4928 90; 91.5907; 90 | 3927.94 | Suzuki, Itaru; Tsunoi, Shinji; Shibata, Ikuya Catalytic Annulation of Diethyl Methylenecyclopropane-1,1-dicarboxylate with 1,1-Dicyanoalkenes. Organic letters, 2017, 19, 2690-2693 |
| 1545904 | CIF | C50 H81 Li O2 | P 1 21/n 1 | 9.7973; 25.876; 18.478 90; 93.768; 90 | 4674.3 | Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Müller, Peter; Becker, Jonathan Synthesis of 2,6-Hexa-tert-butylterphenyl Derivatives, 2,6-(2,4,6-t-Bu3C6H2)2C6H3X, where X = I, Li, OH, SH, N3, or NH2 Organic Letters, 2017 |
| 1545905 | CIF | C126 H183 Cl6 O3 W1.5 | C 1 2/c 1 | 19.931; 65.396; 18.862 90; 90; 90 | 24585 | Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Müller, Peter; Becker, Jonathan Synthesis of 2,6-Hexa-tert-butylterphenyl Derivatives, 2,6-(2,4,6-t-Bu3C6H2)2C6H3X, where X = I, Li, OH, SH, N3, or NH2 Organic Letters, 2017 |
| 1545906 | CIF | C28 H31 Br N2 O5 S2 | P 1 21 1 | 13.3441; 6.3849; 16.136 90; 95.366; 90 | 1368.77 | Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M. Oxetanyl Amino Acids for Peptidomimetics. Organic letters, 2017, 19, 2510-2513 |
| 1545907 | CIF | C14 H28 N2 O3 S | P 21 21 21 | 5.4302; 15.9643; 19.0144 90; 90; 90 | 1648.3 | Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M. Oxetanyl Amino Acids for Peptidomimetics. Organic letters, 2017, 19, 2510-2513 |
| 1545908 | CIF | C41 H59 Br N6 Ni O Si3 | P -1 | 9.4796; 15.2993; 15.5434 89.381; 78.419; 77.883 | 2158 | Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017 |
| 1545909 | CIF | C40 H54 Cu N6 Si3 | R -3 :H | 16.4836; 16.4836; 26.069 90; 90; 120 | 6134.2 | Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017 |
| 1545910 | CIF | C44 H60 Mg N6 Si3 | P 1 21/n 1 | 12.834; 17.1903; 20.4108 90; 98.1684; 90 | 4457.4 | Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017 |
| 1545911 | CIF | C37 H51 Li N6 Si3 | I 2 3 | 20.191; 20.191; 20.191 90; 90; 90 | 8231.4 | Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017 |
| 1545912 | CIF | C46 H61 N6 Si3 | P -1 | 10.1605; 15.4631; 15.8502 65.3205; 86.4167; 79.4613 | 2224.4 | Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017 |
| 1545913 | CIF | C41 H57 N6 Si3 Zn | P -1 | 11.1387; 12.298; 17.7675 79.0698; 75.102; 65.8782 | 2136.8 | Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017 |
| 1545914 | CIF | C43 H57 Br N6 Ni Si3 | P 1 21/c 1 | 12.702; 18.819; 18.915 90; 105.63; 90 | 4354.2 | Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017 |
| 1545915 | CIF | C37 H51 Cu N6 Si3 | I 2 3 | 20.1294; 20.1294; 20.1294 90; 90; 90 | 8156.3 | Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017 |
| 1545916 | CIF | Ba2 F11 Mn3 Na | R -3 c :H | 7.003; 7.003; 35.466 90; 90; 120 | 1506.3 | Darriet, J.; Ducau, M.; Feist, M.; Tressaud, A.; Hagenmuller, P. Crystal structure and magnetic properties of NaBa2Mn3F11 : a new layer-type fluoride compound Journal of Solid State Chemistry, 1992, 98, 379-385 |
| 1545917 | CIF | Ca O10 P2 V2 | F d d 2 | 11.795; 15.784; 7.19 90; 90; 90 | 1338.6 | Lii, K. H.; Chueh, B. R.; Kang, H. Y.; Wang, S. L. Synthesis and crystal structure of Ca(VO)2(PO4)2 Journal of Solid State Chemistry, 1992, 99, 72-77 |
| 1545918 | CIF | Bi0.5 Na0.5 O9 Ti | R 3 c :H | 5.49; 5.49; 13.387 90; 90; 120 | 349.429 | Mahmood, Natheer B.; Al-Shakarchi, Emad K. Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT Journal of Modern Physics, 2017, 8, 844-851 |
| 1545919 | CIF | Bi0.5 K0.5 O3 Ti | P 4 m m | 3.9071; 3.9071; 3.9571 90; 90; 90 | 60.407 | Mahmood, Natheer B.; Al-Shakarchi, Emad K. Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT Journal of Modern Physics, 2017, 8, 844-851 |
| 1545920 | CIF | C181 H119 Cl15 N16 O22 P6 Zr4 | P -1 | 15.402; 17.812; 18.047 87.569; 85.646; 71.376 | 4677 | Yagi, Yuma; Masaki, Shuhei; Iwata, Tetsuki; Nakane, Daisuke; Yasui, Takashi; Yuchi, Akio Triphosphate Ion-Selective Electrode Based on Zr-Porphyrin Complex. Analytical chemistry, 2017, 89, 3937-3942 |
| 1545921 | CIF | O7 Th V2 | P n 21 a | 7.201; 22.771; 6.945 90; 90; 90 | 1138.8 | Launay, S.; Mahe, P.; Quarton, M.; Robert, F. Polymorphisme et structure cristalline de ThV2O7 Journal of Solid State Chemistry, 1992, 97, 305-313 |
| 1545922 | CIF | C37 H39 N O5 | P 21 21 21 | 9.0661; 10.4931; 34.221 90; 90; 90 | 3255.5 | Tan, Liang; Tao, Yunliang; Wang, Ting; Zou, Feng; Zhang, Shuhua; Kou, Qunhuan; Niu, Ao; Chen, Qian; Chu, Wenjing; Chen, Xiaoyan; Wang, Haidong; Yang, Yushe Discovery of Novel Pyridone-Conjugated Monosulfactams as Potent and Broad-Spectrum Antibiotics for Multidrug-Resistant Gram-Negative Infections. Journal of medicinal chemistry, 2017, 60, 2669-2684 |
| 1545923 | CIF | C37 H60 O11 | P 1 21 1 | 12.5069; 23.641; 25.417 90; 98.788; 90 | 7427 | Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities. Journal of natural products, 2017, 80, 1102-1109 |
| 1545924 | CIF | C20 H24 O5 | P 1 21 1 | 9.7656; 6.1628; 15.4441 90; 101.53; 90 | 910.72 | Liu, Ye; Yu, Heng-Yi; Wang, Yan-Mei; Tian, Tian; Wu, Wen-Ming; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Neuroprotective Lignans from the Fruits of Schisandra bicolor var. tuberculata. Journal of natural products, 2017, 80, 1117-1124 |
| 1545925 | CIF | C25 H30 Cl2 O6 | P 21 21 21 | 11.0269; 13.3801; 16.14 90; 90; 90 | 2381.31 | Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus. Journal of natural products, 2017, 80, 1039-1047 |
| 1545926 | CIF | C32 H42 | P 1 21/n 1 | 7.75029; 34.4156; 9.25694 90; 94.6142; 90 | 2461.11 | Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires The Journal of Physical Chemistry C, 2017, 121, 9202 |
| 1545927 | CIF | C18 H14 F3 N | P 1 21/n 1 | 5.9879; 12.983; 18.904 90; 90.542; 90 | 1469.5 | Chen, Shuang; Li, Deng-Yuan; Jiang, Liang-Liang; Liu, Kai; Liu, Pei-Nian Copper-Catalyzed Cascade Transformation of Homopropargyl Azides into Trifluoromethylated Nitriles via C-C Cleavage. Organic letters, 2017, 19, 2014-2017 |
| 1545928 | CIF | C10 H14 Cl N O | P 21 21 21 | 4.7337; 6.2908; 33.7597 90; 90; 90 | 1005.32 | Wei, Yi; Zhang, Heng-Xia; Zeng, Jun-Liang; Nie, Jing; Ma, Jun-An Organocatalytic Asymmetric Decarboxylative Amination of β-Keto Acids: Access to Optically Active α-Amino Ketones and 1,2-Amino Alcohols. Organic letters, 2017, 19, 2162-2165 |
| 1545929 | CIF | C15 H15 Cl O2 | P 21 21 21 | 9.1478; 11.1509; 12.6918 90; 90; 90 | 1294.64 | Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence. Organic letters, 2017, 19, 2130-2133 |
| 1545930 | CIF | C29 H25 B N2 O | P 1 21/n 1 | 13.7906; 11.0012; 15.176 90; 106.407; 90 | 2208.6 | Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence. Organic letters, 2017, 19, 2026-2029 |
| 1545931 | CIF | C33 H27 Br2 Cl3 D N3 O3 | P 21 21 2 | 16.2687; 22.872; 9.2415 90; 90; 90 | 3438.7 | Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives. Organic letters, 2017, 19, 1954-1957 |
| 1545932 | CIF | C32 H24 O8 | P 1 21/n 1 | 8.5702; 19.8368; 13.8839 90; 93.903; 90 | 2354.86 | Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii. Organic letters, 2017, 19, 2142-2145 |
| 1545933 | CIF | C31 H22 O7 | P 1 21/c 1 | 13.7367; 8.5632; 19.5622 90; 97.697; 90 | 2280.37 | Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii. Organic letters, 2017, 19, 2142-2145 |
| 1545934 | CIF | C21 H25 B F2 N2 O4 | P -1 | 7.5261; 12.0151; 23.1016 89.001; 85.625; 82.143 | 2063.31 | Patalag, Lukas J.; Ulrichs, Jan A.; Jones, Peter G.; Werz, Daniel B. Decorated BODIPY Fluorophores and Thiol-Reactive Fluorescence Probes by an Aldol Addition. Organic letters, 2017, 19, 2090-2093 |
| 1545935 | CIF | C21 H22 N2 O6 S | C 1 c 1 | 26.0091; 6.2157; 15.4618 90; 123.549; 90 | 2083.22 | Rajkumar, Sundaram; Clarkson, Guy J.; Shipman, Michael Regio- and Stereocontrolled Synthesis of 3-Substituted 1,2-Diazetidines by Asymmetric Allylic Amination of Vinyl Epoxide. Organic letters, 2017, 19, 2058-2061 |
| 1545936 | CIF | C11 H21 N3 | P 1 21/c 1 | 10.4021; 11.1735; 21.729 90; 98; 90 | 2500.9 | Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay Synthesis and Reactivity of 1-Allenyltriazenes. Organic letters, 2017, 19, 2070-2073 |
| 1545937 | CIF | C16 H23 N3 | P c a 21 | 10.4082; 7.7785; 19.6994 90; 90; 90 | 1594.87 | Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay Synthesis and Reactivity of 1-Allenyltriazenes. Organic letters, 2017, 19, 2070-2073 |
| 1545938 | CIF | C26 H48 O2 Si | P 1 21/c 1 | 27.621; 7.7207; 12.441 90; 91.434; 90 | 2652.3 | Werner, Bettina; Kalesse, Markus Pinacol Coupling Strategy for the Construction of the Bicyclo[6.4.1]tridecane Framework of Schiglautone A. Organic letters, 2017, 19, 1524-1526 |
| 1545939 | CIF | C20 H23 N O3 | P 1 21 1 | 8.69815; 8.99657; 11.2368 90; 99.4584; 90 | 867.365 | Ding, Qiang; Wang, Qiuyan; He, Huan; Cai, Qian Asymmetric Synthesis of (-)-Pterocarine and (-)-Galeon via Chiral Phase Transfer-Catalyzed Atropselective Formation of Diarylether Cyclophane Skeleton. Organic letters, 2017, 19, 1804-1807 |
| 1545940 | CIF | C26 H26 N2 O3 S | C 1 2/c 1 | 18.154; 19.79; 13.725 90; 112.371; 90 | 4560 | Bai, Lu; Wang, Yan; Ge, Yicong; Liu, Jingjing; Luan, Xinjun Diastereoselective Synthesis of Dibenzo[b,d]azepines by Pd(II)-Catalyzed [5 + 2] Annulation of o-Arylanilines with Dienes. Organic letters, 2017, 19, 1734-1737 |
| 1545941 | CIF | C12 H13 Cl O | C 1 2/c 1 | 39.96; 11.468; 28.37 90; 134.78; 90 | 9228 | Shen, Yangyong; Huang, Bo; Zheng, Jing; Lin, Chen; Liu, Yu; Cui, Sunliang Csp-Csp(3) Bond Formation via Iron(III)-Promoted Hydroalkynylation of Unactivated Alkenes. Organic letters, 2017, 19, 1744-1747 |
| 1545942 | CIF | C11 H14 O2 | P 1 21/c 1 | 8.082; 23.635; 5.257 90; 100.75; 90 | 986.6 | Liu, Wei; Ren, Wenlong; Li, Jingfu; Shi, Yuan; Chang, Wenju; Shi, Yian A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid. Organic letters, 2017, 19, 1748-1751 |
| 1545943 | CIF | C17 H12 Cl N O | P 1 21/c 1 | 9.793; 12.819; 11.666 90; 109.278; 90 | 1382.4 | Wang, Shun; Guo, Yong-Qiang; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui K2CO3-Mediated Cyclization and Rearrangement of γ,δ-Alkynyl Oximes To Form Pyridols. Organic letters, 2017, 19, 1574-1577 |
| 1545944 | CIF | C14 H14 N4 S | P 1 21 1 | 10.013; 5.4697; 11.876 90; 96.71; 90 | 646 | Haidasz, Evan A.; Pratt, Derek A. Diazaphenoxazines and Diazaphenothiazines: Synthesis of the "Correct" Isomers Reveals They Are Highly Reactive Radical-Trapping Antioxidants. Organic letters, 2017, 19, 1854-1857 |
| 1545945 | CIF | C60 H56 N4 O4 | P 1 21/c 1 | 16.5759; 13.1086; 12.2124 90; 108.101; 90 | 2522.27 | Tominaga, Masahide; Takahashi, Eri; Ukai, Hiroyuki; Ohara, Kazuaki; Itoh, Tsutomu; Yamaguchi, Kentaro Solvent-Dependent Self-Assembly and Crystal Structures of a Salen-Based Macrocycle. Organic letters, 2017, 19, 1508-1511 |
| 1545946 | CIF | C19 H16 Cl2 N2 O4 | P 21 21 21 | 6.4551; 13.9906; 19.732 90; 90; 90 | 1782.01 | Gammack Yamagata, Adam D.; Dixon, Darren J. Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids. Organic letters, 2017, 19, 1894-1897 |
| 1545947 | CIF | C19 H22 N2 O3 | P 1 21 1 | 8.2596; 7.268; 13.7048 90; 102.076; 90 | 804.5 | Gammack Yamagata, Adam D.; Dixon, Darren J. Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids. Organic letters, 2017, 19, 1894-1897 |
| 1545948 | CIF | C12 H14 O5 | P 1 21/n 1 | 14.5321; 4.2646; 17.6646 90; 96.996; 90 | 1086.6 | Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core. Organic letters, 2017, 19, 1870-1873 |
| 1545949 | CIF | C15 H20 O5 | C 1 2/c 1 | 36.172; 4.3144; 21.587 90; 125.607; 90 | 2739 | Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core. Organic letters, 2017, 19, 1870-1873 |
| 1545950 | CIF | C18 H18 O4 | P -1 | 12.6329; 15.5564; 16.0916 96.072; 105.849; 94.847 | 3003.75 | Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core. Organic letters, 2017, 19, 1870-1873 |
| 1545951 | CIF | C7 H7 N O2 S | P 1 21/c 1 | 9.5486; 14.0756; 5.967 90; 105.349; 90 | 773.37 | Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes. Organic letters, 2017, 19, 1694-1697 |
| 1545952 | CIF | C26 H38 N4 O4 Si | C 1 2/c 1 | 26.0702; 10.9823; 21.191 90; 108.083; 90 | 5767.5 | Wang, Taimin; Duan, Xiaoguang; Zhao, Hua; Zhai, Shengxian; Tao, Cheng; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin Asymmetric Total Synthesis of (-)-Aspidophylline A. Organic letters, 2017, 19, 1650-1653 |
| 1545953 | CIF | C27 H26 N2 O4 | P 21 21 21 | 7.9238; 11.0281; 25.0507 90; 90; 90 | 2189 | Wang, Dan; Hou, Min; Ji, Yue; Gao, Shuanhu Total Synthesis of Scholarisine K and Alstolactine A. Organic letters, 2017, 19, 1922-1925 |
| 1545954 | CIF | C27 H24 F3 N O3 S | P 21 21 21 | 5.3333; 19.6192; 23.4352 90; 90; 90 | 2452.1 | Wang, Huamin; Zhou, Wei; Tao, Mengna; Hu, Anjing; Zhang, Junliang Functionalized Tetrahydropyridines by Enantioselective Phosphine-Catalyzed Aza-[4 + 2] Cycloaddition of N-Sulfonyl-1-aza-1,3-dienes with Vinyl Ketones. Organic letters, 2017, 19, 1710-1713 |
| 1545955 | CIF | C22 H22 O6 | P 1 21 1 | 5.521; 17.785; 9.852 90; 91.837; 90 | 966.9 | Zhou, Weiping; Ni, Chunjie; Chen, Jiangfei; Wang, Dong; Tong, Xiaofeng Enantioselective Synthesis of 4H-Pyran via Amine-Catalyzed Formal (3 + 3) Annulation of δ-Acetoxy Allenoate. Organic letters, 2017, 19, 1890-1893 |
| 1545956 | CIF | C17 H13 N O3 Se | P 1 21/c 1 | 18.8061; 5.9523; 13.3383 90; 90.605; 90 | 1493 | Dana, Suman; Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin Ru(II)-Catalyzed C-H Functionalization on Maleimides with Electrophiles: A Demonstration of Umpolung Strategy. Organic letters, 2017, 19, 1902-1905 |
| 1545957 | CIF | C32 H24 Br N3 O3 | P 21 21 21 | 7.6027; 16.7807; 21.1178 90; 90; 90 | 2694.18 | Liu, Jin-Yu; Zhao, Jing; Zhang, Jia-Lu; Xu, Peng-Fei Quaternary Carbon Center Forming Formal [3 + 3] Cycloaddition Reaction via Bifunctional Catalysis: Asymmetric Synthesis of Spirocyclohexene Pyrazolones. Organic letters, 2017, 19, 1846-1849 |
| 1545958 | CIF | C23 H13 F3 N2 O | P 1 21/c 1 | 7.6208; 21.2775; 11.1815 90; 105.554; 90 | 1746.7 | Zhang, Ting-Yu; Lin, Jun-Bing; Li, Quan-Zhe; Kang, Jun-Chen; Pan, Jin-Long; Hou, Si-Hua; Chen, Chao; Zhang, Shu-Yu Copper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids. Organic letters, 2017, 19, 1764-1767 |
| 1545959 | CIF | C27 H34 O3 | P -1 | 9.8361; 9.9871; 12.5171 98.404; 92.358; 94.506 | 1210.9 | Zhang, Xiang-Zhi; Deng, Yu-Hua; Gan, Kang-Ji; Yan, Xu; Yu, Ke-Yin; Wang, Fang-Xin; Fan, Chun-An Tandem Spirocyclopropanation/Rearrangement Reaction of Vinyl p-Quinone Methides with Sulfonium Salts: Synthesis of Spirocyclopentenyl p-Dienones. Organic letters, 2017, 19, 1752-1755 |
| 1545960 | CIF | C39 H24 N12 O7 | P 1 21/c 1 | 27.36; 6.8093; 25.381 90; 112.41; 90 | 4371.4 | Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70. Organic letters, 2017, 19, 1590-1593 |
| 1545961 | CIF | C60 H48 Cl6 N6 O6 | P -1 | 11.034; 13.836; 19.748 105.366; 101.194; 101.131 | 2754.9 | Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70. Organic letters, 2017, 19, 1590-1593 |
| 1545962 | CIF | C20 H11 Br S | P 1 21/n 1 | 5.1414; 15.2261; 18.358 90; 97.59; 90 | 1424.5 | Ozaki, Kyohei; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-Extension (APEX) of Heteroarenes with Dibenzosiloles and Dibenzogermoles by Palladium/o-Chloranil Catalysis. Organic letters, 2017, 19, 1930-1933 |
| 1545963 | CIF | C23 H21 Br N2 O | P 1 21/n 1 | 9.5441; 7.5459; 27.2946 90; 96.595; 90 | 1952.72 | Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Rundell, Christopher D.; Shannon, Jonathan; Tizzard, Graham J. Base-Controlled Diastereoselective Synthesis of Either anti- or syn-β-Aminonitriles. Organic letters, 2017, 19, 1918-1921 |
| 1545964 | CIF | C32 H34 O10 | P 1 21 1 | 9.4676; 15.2732; 12.2821 90; 96.493; 90 | 1764.61 | Xiao, Zheming; Li, Yayue; Gao, Shuanhu Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A. Organic letters, 2017, 19, 1834-1837 |
| 1545965 | CIF | C24 H25 N3 O5 | P 1 21/c 1 | 11.0916; 8.5446; 23.4141 90; 95.772; 90 | 2207.8 | Wang, Chunyu; Wang, Zhonglei; Xie, Xiaoni; Yao, Xiaotong; Li, Guang; Zu, Liansuo Total Synthesis of (±)-Grandilodine B. Organic letters, 2017, 19, 1828-1830 |
| 1545966 | CIF | C16 H17 N O4 | P 1 21 1 | 10.666; 6.294; 11.33 90; 109.47; 90 | 717.1 | Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun Synthesis of the ABC Tricyclic System of Daphnicyclidin A. Organic letters, 2017, 19, 1497-1499 |
| 1545967 | CIF | C21 H20 F3 N O2 S | P -1 | 9.0447; 10.6072; 11.4907 70.444; 89.544; 67.304 | 949.01 | Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes. Organic letters, 2017, 19, 1674-1677 |
| 1545968 | CIF | C18 H19 Br F3 N O2 S | P n a 21 | 7.1072; 23.128; 10.8794 90; 90; 90 | 1788.3 | Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes. Organic letters, 2017, 19, 1674-1677 |
| 1545969 | CIF | C21 H20 F3 N O2 S | P 1 21/c 1 | 23.234; 33.003; 7.7417 90; 95.771; 90 | 5906 | Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes. Organic letters, 2017, 19, 1674-1677 |
| 1545970 | CIF | C10 H8 F3 N O2 S | P -1 | 7.4533; 8.8064; 9.0773 74.195; 68.403; 81.369 | 532.21 | Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes. Organic letters, 2017, 19, 1674-1677 |
| 1545971 | CIF | C33 H35 N O | P 61 | 21.1037; 21.1037; 10.4985 90; 90; 120 | 4049.3 | Sun, Hui; Cui, Bin; Duan, Lili; Li, Yue-Ming Intramolecular Aminoalkoxylation of Unfunctionalized Olefins via Intramolecular Iodoamination and Aziridinium Ion Ring-Opening Sequence. Organic letters, 2017, 19, 1520-1523 |
| 1545972 | CIF | C23 H17 Cl N2 O3 | P 21 21 21 | 8.812; 11.495; 19.111 90; 90; 90 | 1935.83 | Montesinos-Magraner, Marc; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R Hydroxy-Directed Enantioselective Hydroxyalkylation in the Carbocyclic Ring of Indoles. Organic letters, 2017, 19, 1546-1549 |
| 1545973 | CIF | C41 H40 Cl2 N2 P2 Ru | P 1 21/n 1 | 11.188; 25.322; 16.401 90; 93.32; 90 | 4638.6 | Wang, Zheng; Pan, Bing; Liu, Qingbin; Yue, Erlin; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua Efficient acceptorless dehydrogenation of secondary alcohols to ketones mediated by a PNN-Ru(ii) catalyst Catal. Sci. Technol., 2017, 7, 1654 |
| 1545974 | CIF | C8 H14 B O3 P | P 21 21 21 | 6.2846; 11.2864; 14.5243 90; 90; 90 | 1030.22 | Markley, Jana L.; Hanson, Paul R. P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols. Organic letters, 2017, 19, 2552-2555 |
| 1545975 | CIF | C8 H14 B O3 P | P 21 21 21 | 6.2929; 11.2901; 14.454 90; 90; 90 | 1026.9 | Markley, Jana L.; Hanson, Paul R. P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols. Organic letters, 2017, 19, 2552-2555 |
| 1545976 | CIF | C60 H64 I2 N32 O14 | P 1 21/c 1 | 17.0396; 27.7804; 34.0065 90; 90.253; 90 | 16097.4 | Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert Cubane Arrives on the Cucurbituril Scene. Organic letters, 2017, 19, 2698-2701 |
| 1545977 | CIF | C33 H36 N2 O6 | P 21 21 21 | 8.7243; 12.504; 26.5448 90; 90; 90 | 2895.7 | Ejima, Hirotaka; Wakita, Fumihiro; Imamura, Ryo; Kato, Takuya; Hosokawa, Seijiro Stereoselective Synthesis of Tabtoxinine-β-lactam by Using the Vinylogous Mukaiyama Aldol Reaction with Acetate-Type Vinylketene Silyl N,O-Acetal and α-Keto-β-lactam Organic Letters, 2017 |
| 1545978 | CIF | C36 H72 Cu2.7 Li1.3 N4 | P 1 21/c 1 | 11.6661; 22.7624; 15.2664 90; 108.677; 90 | 3840.48 | Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017 |
| 1545979 | CIF | C54 H104 Li6 N6 O6 | P -1 | 11.8638; 12.043; 12.2033 82.499; 66.906; 72.489 | 1529.35 | Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017 |
| 1545980 | CIF | C46 H88 Cu0.21 Li5.79 N6 O4 | P -1 | 7.9156; 13.4775; 13.8111 110.986; 94.546; 104.331 | 1309.7 | Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017 |
| 1545981 | CIF | C37 H88 Cu Li4 N9 O | P -1 | 11.9447; 13.7635; 16.4214 80.989; 78.164; 67.824 | 2437.5 | Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017 |
| 1545982 | CIF | C46 H88 Cu2 Li4 N6 O4 | P -1 | 8.4118; 11.5807; 13.5645 98.376; 95.058; 94.955 | 1295.58 | Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017 |
| 1545983 | CIF | C24 H60 Br Li3 N6 | P 1 21/c 1 | 17.7718; 12.1985; 17.2945 90; 118.237; 90 | 3303.09 | Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017 |
| 1545984 | CIF | C24 H60 Br Cu0.09 Li2.91 N6 | P 1 21/c 1 | 17.7591; 12.2389; 17.2889 90; 118.227; 90 | 3310.9 | Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017 |
| 1545985 | CIF | C24 H28 N4 O6 | P 1 21/c 1 | 16.7641; 11.6113; 14.8749 90; 112.159; 90 | 2681.6 | Nikolayevskiy, Herman; Tun, Kyaw Moe; Rablen, Paul R.; Ben Mamoun, Choukri; Herzon, Seth A complex stereochemical relay approach to the antimalarial alkaloid ocimicide A1. Evidence for a structural revision. Chem. Sci., 2017 |
| 1545986 | CIF | C30 H44 N4 O6 Pd2 S2 | P 1 21/n 1 | 13.3652; 18.9012; 14.5561 90; 104.314; 90 | 3563 | St John-Campbell, Sahra; White, Andrew J. P.; Bull, James A. Single Operation Palladium Catalysed C(sp3)‒H Functionalisation of Tertiary Aldehydes: Investigations into Transient Imine Directing Groups Chem. Sci., 2017 |
| 1545987 | CIF | C59 H39 Br4 N7 Zn | C 1 2/c 1 | 25.037; 9.586; 24.537 90; 120.09; 90 | 5095 | Bertini, Federica; Glatz, Mathias; Gorgas, Nikolaus; Stoeger, Berthold; Peruzzini, Maurizio; Veiros, Luis Filipe F.; Kirchner, Karl; Gonsalvi, Luca Carbon Dioxide Hydrogenation Catalysed by Well-defined Mn(I) PNP Pincer Hydride Complexes Chem. Sci., 2017 |
| 1545988 | CIF | C39 H50 Au F8 I2 K N4 O12.5 | P -1 | 9.048; 15.1904; 19.1737 73.9435; 78.7765; 88.9763 | 2482.2 | Christopherson, Jan-Constantin; Potts, Karlie P.; Bushuyev, Oleksandr S.; Topić, Filip; Huskic, Igor; Rissanen, Kari; Barrett, Christopher J.; Friščić, Tomislav Assembly and dichroism of a four-component halogen-bonded metal-organic cocrystal salt solvate involving dicyanoaurate(I) acceptors Faraday Discuss., 2017 |
| 1545989 | CIF | C61 H76 N2 O12 | P 1 21/n 1 | 12.9848; 19.382; 22.2953 90; 99.8421; 90 | 5528.5 | Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J. Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle Chem. Sci., 2017, 8, 3898 |
| 1545990 | CIF | C61 H71 N3 O10 | P b c a | 17.819; 17.457; 34.337 90; 90; 90 | 10681 | Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J. Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle Chem. Sci., 2017, 8, 3898 |
| 1545991 | CIF | C31 H48 N4 O10 S | P 1 21/c 1 | 15.96905; 20.99152; 10.22172 90; 96.6779; 90 | 3403.22 | Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing Helical Folding of Meta-Connected Aromatic Oligoureas. Organic letters, 2017, 19, 2666-2669 |
| 1545992 | CIF | C46 H70 N6 O17 | P -1 | 11.689; 14.24; 17.345 112.693; 101.236; 97.554 | 2543.5 | Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing Helical Folding of Meta-Connected Aromatic Oligoureas. Organic letters, 2017, 19, 2666-2669 |
| 1545993 | CIF | C22 H18 O2 | P -1 | 7.689; 10.82; 11.135 100.707; 101.208; 106.471 | 842.4 | Liang, Man; Zhang, Shuai; Jia, Jiong; Tung, Chen-Ho; Wang, Jianwu; Xu, Zhenghu Synthesis of Spiroketals by Synergistic Gold and Scandium Catalysis Organic Letters, 2017 |
| 1545994 | CIF | C23 H17 Cl N2 O7 S | P -1 | 9.1593; 11.0566; 12.405 64.95; 76.98; 89.327 | 1103.85 | Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T. Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides. Organic letters, 2017, 19, 2466-2469 |
| 1545995 | CIF | C24 H17 N3 O7 S | I 1 2/a 1 | 13.7214; 9.2266; 34.566 90; 91.593; 90 | 4374.4 | Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T. Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides. Organic letters, 2017, 19, 2466-2469 |
| 1545996 | CIF | C25 H27 Cl2 N7 Ni O3 | P 1 21/c 1 | 16.1455; 19.402; 9.224 90; 103.732; 90 | 2806.9 | Dai, Zengjin; Luo, Qin; Jiang, Huan; Luo, Qi; Li, Hua; Zhang, Jing; Peng, Tianyou Ni(II)-N′NN′ Pincer Complexes Catalyzed Dehydrogenation of Primary Alcohols to Carboxylic acids and H2 Accompanied by the Alcohol Etherification Catal. Sci. Technol., 2017 |
| 1545997 | CIF | C21 H23 N O6 | P 21 21 21 | 8.76; 13.957; 16.322 90; 90; 90 | 1995.6 | Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang Enantioselective Total Synthesis of (–)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids Chem. Sci., 2017 |
| 1545998 | CIF | C40 H36 N3 O14 | P 1 21 1 | 13.869; 9.736; 14.969 90; 105.103; 90 | 1951 | Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang Enantioselective Total Synthesis of (‒)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids Chem. Sci., 2017 |
| 1545999 | CIF | F7 Mn Tl Zr | P 1 21/m 1 | 6.45; 8.25; 6.459 90; 118; 90 | 303.5 | Malika El-Ghozzi; Daniel Avignant; Maurice Guillot Synthesis, structures, and characterization of MMnZrF7 (M = Tl, Rb, NH4, K) fluorides : an example of 7-coordination of divalent manganese Journal of Solid State Chemistry, 1994, 108, 51-58 |
| 1546000 | CIF | F7 Mn Rb Zr | P 1 21/m 1 | 6.439; 8.218; 6.443 90; 117.9; 90 | 301.3 | Malika El-Ghozzi; Daniel Avignant; Maurice Guillot Synthesis, structures, and characterization of MMnZrF7 (M = Tl, Rb, NH4, K) fluorides : an example of 7-coordination of divalent manganese Journal of Solid State Chemistry, 1994, 108, 51-58 |
| 1546001 | CIF | C15 H16 O3 | P 1 21/n 1 | 7.8742; 12.2573; 13.1272 90; 107.166; 90 | 1210.55 | Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang Toward the Total Synthesis of Eurifoloid A. Organic letters, 2017, 19, 2742-2745 |
| 1546002 | CIF | C28 H30 N2 | P -1 | 10.393; 11.0108; 11.0248 87.324; 66.406; 79.801 | 1137.5 | Chi, Yue; Yan, Haihan; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis of Quinoline Derivatives via Cu-Catalyzed Cascade Annulation of Heterocumulenes, Alkynes, and Diaryliodonium Salts Organic Letters, 2017 |
| 1546003 | CIF | C30 H25 N S | P 1 21/n 1 | 10.3505; 8.6159; 27.293 90; 99.307; 90 | 2401.9 | Chi, Yue; Yan, Haihan; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis of Quinoline Derivatives via Cu-Catalyzed Cascade Annulation of Heterocumulenes, Alkynes, and Diaryliodonium Salts Organic Letters, 2017 |
| 1546004 | CIF | C21 H33 N O6 | P 1 21/c 1 | 5.7733; 9.1531; 41.7797 90; 91.716; 90 | 2206.8 | Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate. Organic letters, 2017, 19, 2754-2757 |
| 1546005 | CIF | C15 H23 N O4 | P 1 21 1 | 9.4639; 6.1799; 13.1692 90; 90.131; 90 | 770.21 | Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate. Organic letters, 2017, 19, 2754-2757 |
| 1546006 | CIF | C15 H27 N O4 | P 2 21 21 | 6.02696; 8.5237; 15.8573 90; 90; 90 | 814.62 | Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate. Organic letters, 2017, 19, 2754-2757 |
| 1546007 | CIF | C14 H14 N2 O | R -3 :H | 28.764; 28.764; 7.479 90; 90; 120 | 5358.9 | Purkait, Anisha; Roy, Subhra Kanti; Srivastava, Hemant Kumar; Jana, Chandan K. Metal-Free Sequential C(sp2)–H/OH and C(sp3)–H Aminations of Nitrosoarenes and N-Heterocycles to Ring-Fused Imidazoles Organic Letters, 2017 |
| 1546008 | CIF | C45 H50 S2 | C 1 2/c 1 | 20.986; 22.422; 7.9388 90; 103.263; 90 | 3635.9 | Mitsudo, Koichi; Tanaka, Seiichi; Isobuchi, Ryota; Inada, Tomohiro; Mandai, Hiroki; Korenaga, Toshinobu; Wakamiya, Atsushi; Murata, Yasujiro; Suga, Seiji Rh-Catalyzed Dehydrogenative Cyclization Leading to Benzosilolothiophene Derivatives via Si–H/C–H Bond Cleavage Organic Letters, 2017 |
| 1546009 | CIF | C19 H23 N O4 | P 1 21/n 1 | 15.183; 6.7949; 16.513 90; 92.37; 90 | 1702.1 | Krieger, Jean-Philippe; Lesuisse, Dominique; Ricci, Gino; Perrin, Marc-Antoine; Meyer, Christophe; Cossy, Janine Rhodium(III)-Catalyzed C-H Activation/Heterocyclization as a Macrocyclization Strategy. Synthesis of Macrocyclic Pyridones. Organic letters, 2017 |
| 1546010 | CIF | C25 H27 Br N2 O4 | P 1 21/c 1 | 13.452; 9.374; 19.421 90; 104.972; 90 | 2365.8 | Zhang, Kaifan; Xu, Xiaoying; Zheng, Jiuan; Yao, Hequan; Huang, Yue; Lin, Aijun [3 + 3] Cycloaddition of in Situ Formed Azaoxyallyl Cations with 2-Alkenylindoles: An Approach to Tetrahydro-β-carbolinones. Organic letters, 2017 |
| 1546011 | CIF | C27 H24 N2 O3 | P 1 21/c 1 | 10.2888; 16.2882; 13.248 90; 91.491; 90 | 2219.4 | Meher, Niranjan; Iyer, Parameswar K. Pendant chain engineering to fine-tune nanomorphology and solid state luminescence in naphthalimide AIEEgens: Application to phenolic nitro-explosive detection in water Nanoscale, 2017 |
| 1546012 | CIF Paper | C12 H10 Cl I O4 | P 1 21/c 1 | 12.232; 12.7073; 17.15 90; 103.5; 90 | 2592.1 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546013 | CIF | C12 H10 F6 I P | P 1 21/n 1 | 5.9721; 12.9442; 18.387 90; 96.195; 90 | 1413.1 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546014 | CIF | C33 H22 Cl2 F18 I2 O3 | P -1 | 11.7183; 13.4322; 14.8978 113.429; 107.498; 101.366 | 1913 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546015 | CIF | C36 H24 B0.5 Br5.5 F8 | P 43 3 2 | 15.4248; 15.4248; 15.4248 90; 90; 90 | 3669.9 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546016 | CIF | C36 H24 B Br3 Cl2 F10 | P 41 3 2 | 15.2905; 15.2905; 15.2905 90; 90; 90 | 3574.9 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546017 | CIF | C14 H12 B Br F4 O2 | P -1 | 8.1574; 10.0848; 10.157 89.158; 72.819; 66.607 | 727.64 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546018 | CIF | Ba F7 Fe Zn | P 1 21/c 1 | 5.603; 9.971; 9.584 90; 92.8; 90 | 534.8 | Von H. Holler; D. Babel Crystal structure of a high temperature modification of barium-zinc-iron(III) fluoride BaZnFeF7 Zeitschrift fur anorganische und allgemeine Chemie, 1982, 491, 137-144 |
| 1546019 | CIF | C30 H38 O8 | P 21 21 21 | 9.2535; 11.5385; 24.9217 90; 90; 90 | 2660.93 | Sriyatep, Teerayut; Andersen, Raymond J.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Seemakhan, Sawinee; Borwornpinyo, Suparerk; Laphookhieo, Surat Scalemic Caged Xanthones Isolated from the Stem Bark Extract of Garcinia propinqua. Journal of natural products, 2017, 80, 1658-1667 |
| 1546020 | CIF | C14 H15 N O3 | P 21 21 21 | 5.0478; 14.4096; 16.6991 90; 90; 90 | 1214.64 | An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction. Organic letters, 2017, 19, 2925-2928 |
| 1546021 | CIF | C15 H15 N O3 | P 1 21/c 1 | 7.5525; 19.9782; 8.7575 90; 101.25; 90 | 1295.99 | An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction. Organic letters, 2017, 19, 2925-2928 |
| 1546022 | CIF | C18 H15 Br N2 O4 | P 1 21 1 | 12.578; 22.365; 12.644 90; 107.727; 90 | 3388 | Yang, Yu; Ren, Hong-Xia; Chen, Feng; Zhang, Zheng-Bing; Zou, Ying; Chen, Chao; Song, Xiang-Jia; Tian, Fang; Peng, Lin; Wang, Li-Xin Organocatalytic Asymmetric Annulation between Hydroxymaleimides and Nitrosoarenes: Stereoselective Preparation of Chiral Quaternary N-Hydroxyindolines Organic Letters, 2017 |
| 1546023 | CIF | C11 H7 F5 N4 O | P 1 21/c 1 | 10.3109; 16.7247; 7.4603 90; 108.019; 90 | 1223.4 | Cheung, Kelvin Pak Shing; Tsui, Gavin Chit Copper(I)-Catalyzed Interrupted Click Reaction with TMSCF3: Synthesis of 5-Trifluoromethyl 1,2,3-Triazoles Organic Letters, 2017 |
| 1546024 | CIF | C63 H74 F10 O4 P Pd S | P -1 | 16.199; 18.065; 23.596 102.7; 107.741; 106.042 | 5961.7 | Ingoglia, Bryan T.; Buchwald, Stephen L. Oxidative Addition Complexes as Precatalysts for Cross-Coupling Reactions Requiring Extremely Bulky Biarylphosphine Ligands. Organic letters, 2017, 19, 2853-2856 |
| 1546025 | CIF | Ca2 O4 Si | P b n m | 5.0762; 11.2136; 6.7583 90; 90; 90 | 384.699 | Mumme, W.G.; Cranswick, L.; Chakoumakos, B. Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1996, 170, 171-188 |
| 1546026 | CIF | Ca2 O4 Si | P n a 21 | 20.5266; 9.4963; 5.5897 90; 90; 90 | 1089.58 | Mumme, W.G.; Cranswick, L.; Chakoumakos, B. Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1996, 170, 171-188 |
| 1546027 | CIF | Ca2 O4 Si | P n m a | 6.8709; 5.601; 9.5563 90; 90; 90 | 367.764 | Mumme, W.G.; Cranswick, L.; Chakoumakos, B. Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1996, 170, 171-188 |
| 1546028 | CIF | Ca2 O4 Si | P 63/m m c | 5.532; 5.532; 7.327 90; 90; 120 | 194.187 | Mumme, W.G.; Cranswick, L.; Chakoumakos, B. Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1996, 170, 171-188 |
| 1546029 | CIF | Nb3 O9 Pr | P 1 21/c 1 | 5.3784; 7.602; 16.344 90; 92.21; 90 | 667.8 | Torardi, C. C.; Brixner, L. H.; Foris, C. M. Structure and luminescence of the alpha-LnNb2O9-type rare earth niobates Journal of Solid State Chemistry, 1985, 58, 204-210 |
| 1546030 | CIF | Cr2 F9 K Pb | P n m a | 9.812; 5.412; 13.93 90; 90; 90 | 739.7 | Vlasse, M.; Chaminade, J. P.; Dance, J. M.; Saux, M.; Hagenmuller, P. Structural and magnetic properties of KPbCr2F9 Journal of Solid State Chemistry, 1982, 41, 272-276 |
| 1546031 | CIF | C21 H19 N O | P 1 21/n 1 | 10.0738; 7.7949; 20.89 90; 99.429; 90 | 1618.2 | Long, Jinguo; Cao, Xin; Zhu, Longzhi; Qiu, Renhua; Au, Chak-Tong; Yin, Shuang-Feng; Iwasaki, Takanori; Kambe, Nobuaki Intramolecular, Site-Selective, Iodine-Mediated, Amination of Unactivated (sp(3))C-H Bonds for the Synthesis of Indoline Derivatives. Organic letters, 2017, 19, 2793-2796 |
| 1546032 | CIF | C26 H26 N2 O4 S2 | P 1 21/n 1 | 12.7471; 12.3553; 15.5929 90; 101.189; 90 | 2409.1 | Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines. Organic letters, 2017, 19, 2813-2816 |
| 1546033 | CIF | C27 H28 N2 O4 S2 | P -1 | 8.1304; 12.3569; 12.7925 82.084; 86.551; 72.325 | 1212.65 | Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines. Organic letters, 2017, 19, 2813-2816 |
| 1546034 | CIF | Ca O4 W | I 41/a :2 | 5.205; 5.205; 11.275 90; 90; 90 | 305.46 | Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G. Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171 |
| 1546035 | CIF | Ca O4 W | I 1 2/a 1 | 5.069; 10.851; 5.081 90; 90.091; 90 | 279.47 | Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G. Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171 |
| 1546036 | CIF | O4 Sr W | I 41/a :2 | 5.391; 5.391; 11.893 90; 90; 90 | 345.64 | Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G. Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171 |
| 1546037 | CIF | O4 Sr W | I 1 2/a 1 | 5.263; 11.182; 5.231 90; 90.35; 90 | 307.84 | Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G. Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171 |
| 1546038 | CIF | C32 H38 P2 S2 | P -1 | 9.9187; 11.151; 15.866 73.63; 73.24; 67.98 | 1528 | Okugawa, Yuto; Hirano, Koji; Miura, Masahiro Brønsted Base Mediated Stereoselective Diphosphination of Terminal Alkynes with Diphosphanes Organic Letters, 2017 |
| 1546039 | CIF | C94.67 H110.34 O17.84 | P 1 21/c 1 | 27.6554; 26.5185; 26.1889 90; 94.414; 90 | 19149.4 | Hayase, Norihiko; Miyauchi, Yuta; Aida, Yukimasa; Sugiyama, Haruki; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken Synthesis of [8]Cycloparaphenylene-octacarboxylates via Rh-Catalyzed Stepwise Cross-Alkyne Cyclotrimerization Organic Letters, 2017 |
| 1546040 | CIF | C37 H68 N4 O5 Si2 | P 21 21 21 | 12.6926; 21.4026; 47.9632 90; 90; 90 | 13029.4 | Fanelli, Roberto; Berthomieu, Dorothée; Didierjean, Claude; Doudouh, Abdelatif; Lebrun, Aurélien; Martinez, Jean; Cavelier, Florine Hydrophobic α,α-Disubstituted Disilylated TESDpg Induces Incipient 310-Helix in Short Tripeptide Sequence Organic Letters, 2017 |
| 1546041 | CIF | C18 H18 Cl N3 O | P 1 21 1 | 11.6963; 7.8375; 18.213 90; 96.443; 90 | 1659 | Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes Chem. Sci., 2017 |
| 1546042 | CIF | C22 H31 B2 Br O4 | P 1 21 1 | 11.1006; 6.9951; 30.827 90; 94.93; 90 | 2384.9 | Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes Chem. Sci., 2017 |
| 1546043 | CIF | C9 H6 O2 | P 21 21 21 | 24.72245; 5.994222; 14.31013 90; 90; 90 | 2120.64 | Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017 |
| 1546044 | CIF | C9 H6 O2 | P 21 21 21 | 16.78223; 5.92141; 13.85224 90; 90; 90 | 1376.56 | Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017 |
| 1546045 | CIF | C9 H6 O2 | P 21 21 21 | 17.06176; 6.03613; 13.9083 90; 90; 90 | 1432.4 | Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017 |
| 1546046 | CIF | C9 H6 O2 | P 21 21 21 | 24.27024; 5.92062; 14.18934 90; 90; 90 | 2038.94 | Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017 |
| 1546047 | CIF | C9 H6 O2 | P 21 21 21 | 4.86771; 6.88178; 20.8508 90; 90; 90 | 698.47 | Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017 |
| 1546048 | CIF | C9 H6 O2 | P 1 21 1 | 3.97954; 15.2907; 5.8583 90; 94.237; 90 | 355.5 | Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017 |
| 1546049 | CIF | C9 H12 Cl N O3 | P 1 21 1 | 13.5539; 5.4096; 15.0157 90; 108.421; 90 | 1044.56 | Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017 |
| 1546050 | CIF | C9 H11 F2 N O3 | P 1 21 1 | 13.1; 5.4019; 14.423 90; 100.712; 90 | 1002.9 | Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017 |
| 1546051 | CIF | C9 H12 Br N O3 | P 1 21 1 | 6.3036; 5.3042; 15.9161 90; 97.947; 90 | 527.05 | Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017 |
| 1546052 | CIF | C9 H12 F N O3 | P 1 21 1 | 13.3028; 5.4628; 14.0151 90; 104.048; 90 | 988.02 | Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017 |
| 1546053 | CIF | C9 H12 I N O3 | P 21 21 21 | 5.3139; 6.3152; 32.741 90; 90; 90 | 1098.73 | Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017 |
| 1546054 | CIF | C20 H36 Br2 I6 N4 Ru | P 1 21/n 1 | 9.2035; 11.3936; 18.5083 90; 103.339; 90 | 1888.4 | Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017 |
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