Search results

Result: there are 528227 entries in the selection

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format

We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.

Displaying all data in COD

First | Previous 300 | of 1761 | Next 300 | Last | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1547255	CIF	C10 H14 O5	P 21 21 21	8.106; 10.241; 12.952 90; 90; 90	1075.19	Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E. A Cobalt Complex of a Microbial Arene Oxidation Product Chemistry Central Journal, 2011, 5, 80
1547256	CIF	C16 H19 Co O4	P 21 21 21	7.305; 8.665; 23.568 90; 90; 90	1491.8	Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E. A Cobalt Complex of a Microbial Arene Oxidation Product Chemistry Central Journal, 2011, 5, 80
1547257	CIF	C23 H24 O6	P 1 21/c 1	9.5682; 15.8094; 13.5902 90; 99.76; 90	2026	Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination Chemistry Central Journal, 2013, 7, 107
1547258	CIF	C24 H24 O7	P b c n	30.699; 8.444; 8.788 90; 90; 90	2278	Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination Chemistry Central Journal, 2013, 7, 107
1547259	CIF	C23 H24 O6	P 1 21/n 1	7.9853; 27.0569; 19.2058 90; 101.888; 90	4060.6	Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination Chemistry Central Journal, 2013, 7, 107
1547260	CIF	C13 H9 N3 O	P 1 21/n 1	10.8388; 8.8885; 22.1827 90; 100.433; 90	2101.76	Manuel Velazquez-Ponce; Hector Salgado-Zamora; Hugo A Jimenez-Vazquez; Maria Elena Campos-Aldrete; Rogelio Jimenez; Humberto Cervantes; Taibi Ben Hadda Intramolecular H-bonding interaction in angular 3-pi-EWG substituted imidazo[1,2-a]pyridines contributes to conformational preference Chemistry Central Journal, 2013, 7, 20
1547261	CIF	C20 H23 Cl N2 O2	P -1	9.4583; 10.494; 11.545 70.49; 73.27; 64	957.2	Rui Wu; Cong Zhu; Xiu-Jiang Du; Li-Xia Xiong; Shu-Jing Yu; Xing-Hai Liu; Zheng-Ming Li; Wei-Guang Zhao Synthesis, crystal structure and larvicidal activity of novel diamide derivatives against Culex pipiens Chemistry Central Journal, 2012, 6, 99
1547262	CIF	C10 H19 B10 N O2	P -1	7.708; 7.8648; 14.246 105.133; 90.39; 110.375	776.9	Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane. Organic letters, 2017, 19, 5178-5181
1547263	CIF	C17 H22 B10 N2 O2	P -1	7.8102; 10.484; 14.408 101.922; 101.787; 102.815	1086.2	Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane. Organic letters, 2017, 19, 5178-5181
1547264	CIF	C18 H29 B10 N O4	P -1	10.435; 10.813; 21.42 84.083; 81.585; 75.119	2305.3	Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane. Organic letters, 2017, 19, 5178-5181
1547265	CIF	C41 H42 N2 O2 Si	P 1 21/n 1	12.4255; 15.7669; 17.6793 90; 102.091; 90	3386.7	Williams, David R.; Bawel, Seth A.; Schaugaard, Richard N. A Stereoselective Michael-Mannich Annelation Strategy for the Construction of Novel Tetrahydrocarbazoles. Organic letters, 2017, 19, 5098-5101
1547266	CIF	C11 H11 Cl3 N2 Zn	C 1 c 1	13.791; 21.838; 14.457 90; 107.005; 90	4163.6	Xing, Xiu-Shuang; Sa, Rongjian; Li, Pei-Xin; Zhang, Ning-Ning; Zhou, Zhong-Yuan; Liu, Bin-Wen; Liu, Jie; Wang, Ming-Sheng; Guo, Guo-Cong Second-order nonlinear optical switch with the record-high contrast for a photochromic and thermochromic bistable crystal Chem. Sci., 2017
1547267	CIF	C20 H19 N3 O	P 21 21 21	8.3512; 12.56; 15.3638 90; 90; 90	1611.5	Peng Lei; Xuebo Zhang; Yan Xu; Gaofei Xu; Xili Liu; Xinling Yang; Xiaohe Zhang; Yun Ling Synthesis and fungicidal activity of pyrazole derivatives containing 1,2,3,4-tetrahydroquinoline Chemistry Central Journal, 2016, 10, 40
1547268	CIF	C20 H18 N4 S	P -1	9.0486; 9.1081; 11.7993 68.513; 80.348; 64.771	818.47	Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes Chemistry Central Journal, 2016, 10, 22
1547269	CIF	C35 H28 N8 S2	P 1 21/c 1	14.839; 11.3364; 17.8545 90; 102.292; 90	2934.64	Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes Chemistry Central Journal, 2016, 10, 22
1547270	CIF	C35 H28 N8 S2	C 1 2/c 1	32.9005; 8.0484; 11.51861 90; 106.019; 90	2931.65	Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes Chemistry Central Journal, 2016, 10, 22
1547271	CIF	C20 H19 Br N4 S	P 1 21/c 1	9.13384; 21.768; 9.47711 90; 93.8246; 90	1880.09	Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes Chemistry Central Journal, 2016, 10, 22
1547272	CIF	C22 H21 N3 S	P 1 21/a 1	8.3072; 13.5441; 17.41 90; 92.275; 90	1957.3	Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight Chemistry Central Journal, 2016, 10, 13
1547273	CIF	C24 H25 N3 S	P -1	16.4823; 16.9423; 17.6368 106.027; 110.499; 96.744	4306.6	Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight Chemistry Central Journal, 2016, 10, 13
1547274	CIF	Ba D1.56 Ge	P n m a	15.804; 4.2293; 25.855 90; 90; 90	1728.1	Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds Angewandte Chemie International Edition, 2017, 56, 12344-12347
1547275	CIF	D1.49 Si Sr	P n m a	15.0698; 3.9503; 24.6424 90; 90; 90	1467	Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds Angewandte Chemie International Edition, 2017, 56, 12344
1547276	CIF	Fe7 O9	C 1 2/m 1	9.696; 2.8947; 11.428 90; 101.69; 90	314.1	Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports, 2016, 6, 32852
1547277	CIF	Fe5.94 Mg1.06 O9	C 1 2/m 1	9.6901; 2.8943; 11.4397 90; 102.045; 90	313.77	Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports, 2016, 6, 32852
1547278	CIF	C7 H3 N2 O9 Sm	P 1 21/n 1	9.361; 8.3498; 16.7159 90; 106.31; 90	1253.98	KRANTHI KUMAR GANGU; ANIMA S DADHICH; SARATCHANDRA BABU MUKKAMALA Hydrothermal synthesis, crystal structure and luminescence property of a three dimensional Sm(III) coordination polymer with 2,5-pyridinedicarboxylic acid Journal of Chemical Sciences, 2015, 127, 2225-2230
1547279	CIF	C6 H15 N5 O2	P 1 21/n 1	9.826; 8.8711; 10.6841 90; 90.834; 90	931.21	Hassan, Ahmed R.; El-Kousy, Salah M; El-Toumy, Sayed A; Frydenvang, Karla; Tung, Truong Thanh; Olsen, Jesper; Nielsen, John; Christensen, Søren Brøgger Metformin, an Anthropogenic Contaminant of Seidlitzia rosmarinus Collected in a Desert Region near the Gulf of Aqaba, Sinai Peninsula. Journal of natural products, 2017, 80, 2830-2834
1547280	CIF	C13 H9 Cl2 N O	P 1 21/c 1	7.9855; 9.6318; 16.342 90; 96.36; 90	1249.2	Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off–On” Contrast Ratio The Journal of Physical Chemistry C, 2017, 121, 21610
1547281	CIF	C13 H10 Cl N O	P 1 21/n 1	4.7737; 9.4733; 24.6076 90; 97.36; 90	1103.65	Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off–On” Contrast Ratio The Journal of Physical Chemistry C, 2017, 121, 21610
1547282	CIF	C13 H11 N O	P 1 21/c 1	10.1846; 10.9622; 8.9314 90; 99.716; 90	982.85	Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off–On” Contrast Ratio The Journal of Physical Chemistry C, 2017, 121, 21610
1547283	CIF	Fe14.4 K14.4 O32 Ti1.6	P b c a	5.6343; 11.2778; 15.9493 90; 90; 90	1013.46	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
1547284	CIF	Fe14.4 K14.4 O32 Ti1.6	P b c a	5.6351; 11.3134; 15.9647 90; 90; 90	1017.78	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
1547285	CIF	Fe14.4 K14.4 O32 Ti1.6	P b c a	5.6443; 11.3472; 15.9872 90; 90; 90	1023.93	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
1547286	CIF	Fe14.4 K14.4 O32 Ti1.6	P b c a	5.6581; 11.3735; 16.0267 90; 90; 90	1031.36	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
1547287	CIF	Fe14.4 K14.4 O32 Ti1.6	P b c a	5.6848; 11.3764; 16.09 90; 90; 90	1040.6	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
1547288	CIF	Fe7.2 K7.2 O16 Ti0.8	F d -3 m :2	8.0715; 8.0715; 8.0715 90; 90; 90	525.85	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
1547289	CIF	Fe7.2 K7.2 O16 Ti0.8	F d -3 m :2	8.0961; 8.0961; 8.0961 90; 90; 90	530.67	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
1547290	CIF	Fe7.2 K7.2 O16 Ti0.8	F d -3 m :2	8.1062; 8.1062; 8.1062 90; 90; 90	532.66	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
1547291	CIF	C44 H50 N2 Si4	P 1 21/c 1	17.957; 5.9124; 22.486 90; 122.636; 90	2010.4	Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes The Journal of Physical Chemistry C, 2017, 121, 21262
1547292	CIF	C28 H16 F4	P -1	9.6393; 9.6969; 11.313 78.132; 77.374; 78.525	996.6	Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes The Journal of Physical Chemistry C, 2017, 121, 21262
1547293	CIF	C32 H14 F4 N2	P -1	7.0204; 7.3076; 11.485 102.679; 92.77; 103.071	556.96	Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes The Journal of Physical Chemistry C, 2017, 121, 21262
1547294	CIF	C40 H52 Si4	P -1	11.1962; 11.4527; 16.6957 104.961; 104.164; 96.492	1969.6	Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes The Journal of Physical Chemistry C, 2017, 121, 21262
1547295	CIF	C12 H16 N2 O2	P n a 21	11.9025; 7.4111; 13.2657 90; 90; 90	1170.18	Hao, Feiyue; Asahara, Haruyasu; Nishiwaki, Nagatoshi Direct Aziridination of Nitroalkenes Affording N-Alkyl-C-nitroaziridines and the Subsequent Lewis Acid Mediated Isomerization to β-Nitroenamines. Organic letters, 2017, 19, 5442-5445
1547296	CIF	C17 H16 O2	P 1 21/n 1	8.0103; 6.9176; 24.3023 90; 95.153; 90	1341.2	Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds. Organic letters, 2017, 19, 5216-5219
1547297	CIF	C15 H18 N2 O Si	P -1	7.9568; 13.6772; 14.6028 69.85; 87.671; 77.154	1453.44	Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds. Organic letters, 2017, 19, 5216-5219
1547298	CIF	C21 H22 N2 O Si	P 1 21/n 1	11.9573; 11.2275; 14.8598 90; 98.926; 90	1970.78	Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds. Organic letters, 2017, 19, 5216-5219
1547299	CIF	C20 H13 F2 N3 O Pd	P 1 21/c 1	8.126; 20.9981; 11.7913 90; 120.091; 90	1740.81	Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds. Organic letters, 2017, 19, 5216-5219
1547300	CIF	C18 H28 O3 Si	P 1 21/c 1	19.273; 7.63; 12.384 90; 100.001; 90	1793.4	Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons. Organic letters, 2017, 19, 5324-5327
1547301	CIF	C21 H32 O3 Si	P -1	7.3119; 11.552; 12.6325 104.854; 97.6124; 94.5246	1015.17	Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons. Organic letters, 2017, 19, 5324-5327
1547302	CIF	C14 H18 O2	P -1	9.1835; 11.772; 11.8757 97.9911; 97.2935; 105.76	1205.18	Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons. Organic letters, 2017, 19, 5324-5327
1547303	CIF	C18 H28 O4 Si	P 1 21/c 1	19.8426; 7.7701; 12.1168 90; 91.8138; 90	1867.22	Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons. Organic letters, 2017, 19, 5324-5327
1547304	CIF	C19 H30 O3 Si	P 1 21/n 1	7.2951; 25.7751; 10.621 90; 95.7546; 90	1987.02	Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons. Organic letters, 2017, 19, 5324-5327
1547305	CIF	C25 H18 Cl F3 N2 O3 S	P -1	8.9921; 14.991; 18.8794 70.038; 86.459; 82.52	2371.3	Meng, Qiang; Chen, Fei; Yu, Wei; Han, Bing Copper-Catalyzed Cascade Cyclization of 1,7-Enynes toward Trifluoromethyl-Substituted 1'H-Spiro[azirine-2,4'-quinolin]-2'(3'H)-ones. Organic letters, 2017, 19, 5186-5189
1547306	CIF	C10 H8 O2	P b c n	9.49; 11.322; 7.377 90; 90; 90	792.6	Stefan, Mihaela Corina; Du, Jia; Bulumulla, Chandima; Mejia, Israel; McCandless, Gregory T.; Biewer, Michael C. Evaluation of (E)-1,2-di(furan-2-yl)ethene as building unit in diketopyrrolopyrrole alternating copolymers for transistors Polym. Chem., 2017
1547307	CIF	C21 H25 F N5 O7.28	P -1	10.3252; 13.8631; 16.9586 101.243; 92.514; 109.471	2229.09	N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra Journal of Molecular Structure, 2017, 1149, 367-372
1547308	CIF	C21 H24 F N5 O5 S	P 1 21/c 1	12.0768; 14.712; 12.2222 90; 95.109; 90	2162.9	N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra Journal of Molecular Structure, 2017, 1149, 367-372
1547309	CIF	C21 H30 F N5 O8 S	P -1	8.4651; 9.3753; 15.8077 89.484; 88.735; 78.147	1227.48	N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra Journal of Molecular Structure, 2017, 1149, 367-372
1547310	CIF	C28 H24 N4 O5 Se	P -1	11.1051; 11.6556; 12.5568 65.997; 65.067; 67.782	1303.82	Wu, Ping; Wu, Kaikai; Wang, Liandi; Yu, Zhengkun Iron-Promoted Difunctionalization of Alkenes by Phenylselenylation/1,2-Aryl Migration. Organic letters, 2017, 19, 5450-5453
1547311	CIF	C28 H23 F N4 O5 Se	P 1 21/c 1	13.0995; 13.8051; 15.6445 90; 112.12; 90	2620.9	Wu, Ping; Wu, Kaikai; Wang, Liandi; Yu, Zhengkun Iron-Promoted Difunctionalization of Alkenes by Phenylselenylation/1,2-Aryl Migration. Organic letters, 2017, 19, 5450-5453
1547312	CIF	C24 H19 N O2	P -1	8.5275; 10.4444; 11.7063 71.7186; 77.0693; 66.7601	903.67	Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence. Organic letters, 2017, 19, 5280-5283
1547313	CIF	C24 H19 N O2	C 1 2/c 1	26.201; 9.1245; 16.2023 90; 108.289; 90	3677.8	Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence. Organic letters, 2017, 19, 5280-5283
1547314	CIF	C31 H24 Cl3 N O2	P -1	10.907; 11.8602; 12.5989 114.533; 105.84; 100.619	1341.35	Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence. Organic letters, 2017, 19, 5280-5283
1547315	CIF	C30 H23 N O2	P 1 21/n 1	9.0802; 9.9498; 24.9306 90; 98.8194; 90	2225.75	Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence. Organic letters, 2017, 19, 5280-5283
1547316	CIF	C31 H23 N O4	P 1 21/c 1	9.3618; 10.5515; 24.1467 90; 96.2562; 90	2371.03	Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence. Organic letters, 2017, 19, 5280-5283
1547317	CIF	C27 H18 O2	P -1	8.7392; 10.6106; 11.8953 73.1183; 78.1739; 66.4494	962.6	Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence. Organic letters, 2017, 19, 5280-5283
1547318	CIF	C20 H20 B N O4	P 1 21/c 1	11.2003; 32.9681; 9.9704 90; 103.46; 90	3580.47	Khanizeman, R. N.; Barde, E.; Bates, R. W.; Guérinot, A; Cossy, J. Modular Access to Triarylethylene Units from Arylvinyl MIDA Boronates Using a Regioselective Heck Coupling. Organic letters, 2017, 19, 5046-5049
1547319	CIF	C30 H49 N5 O6	P 1 21 1	8.3072; 7.8052; 25.7246 90; 97.491; 90	1653.7	Colan E. Hughes; G. N. Manjunatha Reddy; Stefano Masiero; Steven P. Brown; P. Andrew Williams; Kenneth D. M. Harris Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif Chemical Science, 2017, 8, 3971-3979
1547320	CIF	C26 H22 Cu N4 O6 Se	P 1 21/c 1	17.934; 36.37; 13.179 90; 120.82; 90	7382	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547321	CIF	C26 H22 Cu N4 O6 Se	C 1 2/c 1	17.86; 12.16; 13.17 90; 120.79; 90	2457	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547322	CIF	C4.73 H4 Cu0.18 N0.73 O1.09 Se0.18	C 1 2/c 1	17.924; 12.236; 13.253 90; 120.69; 90	2500	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547323	CIF	C27 H24 Cu N4 O6 Se	C 1 c 1	17.434; 13.149; 13.184 90; 123.634; 90	2516	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547324	CIF	C27 H24 Cu N4 O6 Se	C 1 c 1	17.58; 13.218; 13.269 90; 123.34; 90	2576	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547325	CIF	C35.5 H41 Fe N O7	P -1	9.6462; 11.3462; 34.2707 81.024; 83.266; 65.585	3367.79	Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin. Journal of medicinal chemistry, 2017, 60, 8358-8368
1547326	CIF	C27 H24 Cu N4 O6 Se	C 1 c 1	17.515; 13.237; 13.262 90; 123.415; 90	2566	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547327	CIF	C31 H29 Fe N O4	P 1 21/n 1	11.7418; 16.8025; 13.8536 90; 112.354; 90	2527.8	Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin. Journal of medicinal chemistry, 2017, 60, 8358-8368
1547328	CIF	C27 H24 Cu N4 O6 Se	C 1 c 1	17.582; 13.248; 13.324 90; 123.38; 90	2592	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547329	CIF	C27 H24 Cu N4 O6 Se	C 1 c 1	17.723; 12.711; 13.471 90; 123.186; 90	2540	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547330	CIF	C27 H24 Cu N4 O6 Se	C 1 2/c 1	17.794; 12.662; 13.644 90; 123.19; 90	2573	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547331	CIF	C27 H24 Cu N4 O6 Se	C 1 c 1	17.551; 13.247; 13.266 90; 123.367; 90	2576	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547332	CIF	C18 H16 Cu0.67 N2.67 O4 Se0.67	C 1 c 1	17.551; 13.239; 13.305 90; 123.3; 90	2584	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems Nature Communications, 2017, 8, 14551
1547333	CIF	C46 H36 Ni O4 P2 S	C 1 c 1	10.2889; 20.9035; 18.3345 90; 102.106; 90	3855.6	Yang, Bangpei; Xiong, Shuoyan; Chen, Changle Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization Polym. Chem., 2017
1547334	CIF	C51 H40 Cl2 Ni O4 P2 S	P 1 21/c 1	18.0878; 13.8845; 17.3793 90; 101.127; 90	4282.6	Yang, Bangpei; Xiong, Shuoyan; Chen, Changle Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization Polym. Chem., 2017
1547335	CIF	C32 H33 O5 P Pd S2	P -1	10.075; 11.6829; 14.3961 75.307; 72.583; 84.033	1563.2	Yang, Bangpei; Xiong, Shuoyan; Chen, Changle Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization Polym. Chem., 2017
1547336	CIF	C30 H46 O4	P 1 21 1	16.1809; 6.7481; 16.4245 90; 116.917; 90	1599.1	Sidjui, Lazare S.; Eyong, Kenneth O.; Hull, Kenneth G.; Folefoc, Gabriel N.; Leddet, Valérie M; Herbette, Gaëtan; Ollivier, Evelyne; Taube, Joseph; Klausmeyer, Kevin; Romo, Daniel Bioactive Seco-Lanostane-Type Triterpenoids from the Roots of Leplaea mayombensis. Journal of natural products, 2017, 80, 2644-2651
1547337	CIF	C94 H110 N6 O10	P -1	14.322; 15.9818; 20.0611 107.703; 90.106; 110.238	4074.8	Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J. Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes Chem. Sci., 2017
1547338	CIF	C36 H42 Br4 N4 O8	P -1	9.6346; 10.1658; 11.207 68.379; 82.74; 68.992	952.6	Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J. Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes Chem. Sci., 2017
1547339	CIF	C106 H130 N4 O12	P -1	12.0595; 12.5637; 16.8685 74.7825; 76.6602; 70.7332	2298.72	Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J. Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes Chem. Sci., 2017
1547340	CIF	C109 H124 B2 F8 N4 O9	P -1	14.2079; 18.9576; 20.1063 97.249; 100.114; 108.536	4957.8	Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J. Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes Chem. Sci., 2017
1547341	CIF	C149.6 H188 Cl6 N8 O47.4 Zr12	R -3 m :H	26.221; 26.221; 60.059 90; 90; 120	35761	Nam, Dongsik; Huh, Jihyun; Lee, Jiyoung; Kwak, Ja Hun; Jeong, Hu Young; Choi, Kyungmin; Choe, Wonyoung Cross-linking Zr-based Metal-Organic Polyhedra via Postsynthetic Polymerization Chem. Sci., 2017
1547342	CIF	C116 H126 Cl6 N8 O40 Zr12	F m -3 m	36.748; 36.748; 36.748 90; 90; 90	49625	Nam, Dongsik; Huh, Jihyun; Lee, Jiyoung; Kwak, Ja Hun; Jeong, Hu Young; Choi, Kyungmin; Choe, Wonyoung Cross-linking Zr-based Metal-Organic Polyhedra via Postsynthetic Polymerization Chem. Sci., 2017
1547343	CIF	C48 H112 As8 Ga Na5 O68 Pd12	I 4/m	15.8084; 15.8084; 24.853 90; 90; 90	6210.9	Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study Chem. Sci., 2017
1547344	CIF	C48 H102 As8 La Na5 O63 Pd12	I 4/m	15.8839; 15.8839; 25.1431 90; 90; 90	6343.6	Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study Chem. Sci., 2017
1547345	CIF	C42 H122 As6 La Na3 O73 Pd12	P -1	13.0985; 16.2291; 22.9839 103.266; 92.094; 97.633	4701.9	Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study Chem. Sci., 2017
1547346	CIF	C48 H100 As8 In Na5 O62 Pd12	I 4/m	15.7992; 15.7992; 24.954 90; 90; 90	6228.9	Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study Chem. Sci., 2017
1547347	CIF	C Ca O	R -3 c :H	4.9877; 4.9877; 17.053 90; 90; 120	367.394	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547348	CIF	C Ca O	R -3 c :H	4.988; 4.988; 17.0607 90; 90; 120	367.604	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547349	CIF	C Ca O	R -3 c :H	4.986; 4.986; 17.0592 90; 90; 120	367.277	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547350	CIF	C Ca O3	R -3 c :H	4.9876; 4.9876; 17.0575 90; 90; 120	367.476	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547351	CIF	C Ca O3	R -3 c :H	4.9804; 4.9804; 17.1932 90; 90; 120	369.331	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547352	CIF	C Ca O3	R -3 c :H	4.978; 4.978; 17.2509 90; 90; 120	370.213	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547353	CIF	C Ca O3	R -3 c :H	4.9763; 4.9763; 17.3134 90; 90; 120	371.301	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547354	CIF	C Ca O	R -3 c :H	4.9768; 4.9768; 17.3026 90; 90; 120	371.144	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547355	CIF	C Ca O	R -3 c :H	4.9756; 4.9756; 17.3717 90; 90; 120	372.446	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547356	CIF	C Ca O	R -3 c :H	4.9752; 4.9752; 17.445 90; 90; 120	373.958	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547357	CIF	C25 H25 N2 O5 S2	P 21 21 21	7.8958; 16.9193; 18.2874 90; 90; 90	2443.04	Zhu, Shi-Ya; Zhang, Yuanzhen; Wang, Wei; Hui, Xin-Ping Stereoselective Synthesis of Functionalized Tetrahydro-1H-1,2-diazepines by N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation. Organic letters, 2017, 19, 5380-5383
1547358	CIF	C23 H20 N2 O5	P 21 21 2	11.5449; 34.1483; 4.9573 90; 90; 90	1954.36	Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D. Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams. Organic letters, 2017, 19, 5066-5069
1547359	CIF	C23 H22 N2 O5	P 21 21 2	11.3495; 36.3258; 4.7864 90; 90; 90	1973.34	Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D. Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams. Organic letters, 2017, 19, 5066-5069
1547360	CIF	C15 H16 I N3 O7 S	P 1 21 1	5.3844; 21.4986; 8.2956 90; 106.438; 90	921.02	Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D. Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams. Organic letters, 2017, 19, 5066-5069
1547361	CIF	C27 H29 Cl2 I N2 O7	C 1 2 1	22.1529; 9.8472; 15.6753 90; 121.483; 90	2916.1	Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D. Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams. Organic letters, 2017, 19, 5066-5069
1547362	CIF	C24 H21 I3 N2 O5	P 21 21 21	5.272; 14.4113; 33.766 90; 90; 90	2565.4	Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D. Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams. Organic letters, 2017, 19, 5066-5069
1547363	CIF	C24 H24 N2 O5	P 1 21 1	4.8466; 11.7928; 18.3146 90; 96.5347; 90	1039.97	Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D. Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams. Organic letters, 2017, 19, 5066-5069
1547364	CIF	C25 H26 N2 O5	P 1 21 1	8.9667; 7.6705; 16.1715 90; 92.338; 90	1111.33	Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D. Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams. Organic letters, 2017, 19, 5066-5069
1547365	CIF	C64 H96 N6 O10 S2	P -1	11.2916; 12.501; 23.9203 88.359; 86.588; 76.689	3279.6	White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R. Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation Chem. Sci., 2017
1547366	CIF	C31 H48 N4 O4 S2	P 1 21/c 1	13.8269; 14.5451; 16.5512 90; 103.927; 90	3230.8	White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R. Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation Chem. Sci., 2017
1547367	CIF	C28 H49 N3 O5 S	P 1 21/n 1	13.1121; 16.3159; 13.6871 90; 90.027; 90	2928.2	White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R. Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation Chem. Sci., 2017
1547368	CIF	C32 H50 N4 O4.5 S2	P 1 2/n 1	12.706; 13.689; 19.969 90; 107.12; 90	3319.4	White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R. Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation Chem. Sci., 2017
1547369	CIF	C170 H155.5 N18 O3	P 1 21 1	13.6872; 22.135; 24.856 90; 94.046; 90	7511.8	Galan, Albano; Escudero, Eduardo Carmelo; Ballester, Pablo Template-directed self-assembly of dynamic covalent capsules with polar interiors Chem. Sci., 2017
1547370	CIF	C Ca O3	R -3 c :H	4.9747; 4.9747; 17.4468 90; 90; 120	373.921	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547371	CIF	C Ca O3	R -3 c :H	4.9694; 4.9694; 17.758 90; 90; 120	379.78	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547372	CIF	C Ca O3	R -3 c :H	4.9679; 4.9679; 17.809 90; 90; 120	380.641	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547373	CIF	C Ca O3	R -3 c :H	4.9745; 4.9745; 17.4912 90; 90; 120	374.843	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547374	CIF	C Ca O3	R -3 c :H	4.9746; 4.9746; 17.5316 90; 90; 120	375.724	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547375	CIF	C Ca O3	R -3 c :H	4.9738; 4.9738; 17.5413 90; 90; 120	375.811	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547376	CIF	C Ca O3	R -3 c :H	4.9738; 4.9738; 17.5547 90; 90; 120	376.098	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547377	CIF	C Ca O3	R -3 c :H	4.9738; 4.9738; 17.5798 90; 90; 120	376.635	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547378	CIF	C Ca O3	R -3 c :H	4.9725; 4.9725; 17.6257 90; 90; 120	377.421	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547379	CIF	C Ca O3	R -3 c :H	4.9728; 4.9728; 17.6811 90; 90; 120	378.653	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547380	CIF	C Ca O3	R -3 c :H	4.9714; 4.9714; 17.6902 90; 90; 120	378.635	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547381	CIF	C Ca O3	R -3 m :H	4.9699; 4.9699; 8.9166 90; 90; 120	190.733	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547382	CIF	C Ca O3	R -3 m :H	4.9689; 4.9689; 8.9364 90; 90; 120	191.079	Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832
1547383	CIF	C57 H61 Au Cl4 O3 P	P 21 21 21	9.0107; 22.8169; 25.9541 90; 90; 90	5336.1	Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology, 2013, 3, 3007-3012
1547384	CIF	C62 H45 Au Cl O3 P Si2	P 21 21 21	9.7873; 12.8393; 39.6173 90; 90; 90	4978.4	Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology, 2013, 3, 3007-3012
1547385	CIF	C32 H25 Au Cl Fe P	P 41	13.2861; 13.2861; 14.7974 90; 90; 90	2612	Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology, 2013, 3, 3007-3012
1547386	CIF	C28 H33 Au Cl Fe P	P 31	9.7478; 9.7478; 23.296 90; 90; 120	1917	Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology, 2013, 3, 3007-3012
1547387	CIF	C32 H38 Fe O S	P 21 21 21	9.6442; 15.8547; 17.74 90; 90; 90	2712.6	Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology, 2013, 3, 3007-3012
1547388	CIF	C30 H57 Au Cl O3 P	C 1 2 1	19.461; 9.2739; 20.008 90; 112.325; 90	3340.4	Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology, 2013, 3, 3007-3012
1547389	CIF	C63 H47 O4 P Si2	P 21 21 21	11.6873; 13.7576; 34.499 90; 90; 90	5547.1	Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology, 2013, 3, 3007-3012
1547390	CIF	C18 H18 N4 O2	P 1 21/n 1	10.025; 13.356; 11.964 90; 94.19; 90	1597.6	Rashmi Dubey; Ashish Kumar Tewari; Ved Prakash Singh; Praveen Singh; Jawahar Singh Dangi; Carmen Puerta; Pedro Valerga; Rajni Kant Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry Tne Scientific World Journal, 2013, 2013, 309710
1547391	CIF	C18 H18 N4 O2	P 1 21/n 1	10.0026; 13.658; 12.0838 90; 93.802; 90	1647.2	Rashmi Dubey; Ashish Kumar Tewari; Ved Prakash Singh; Praveen Singh; Jawahar Singh Dangi; Carmen Puerta; Pedro Valerga; Rajni Kant Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry Tne Scientific World Journal, 2013, 2013, 309710
1547392	CIF	C21 H32 O7	P 21 21 21	25.657; 6.1824; 12.8915 90; 90; 90	2044.9	Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle. Organic letters, 2017, 19, 5352-5355
1547393	CIF	C22 H34 O7	P 1 21 1	12.1637; 6.9628; 13.0151 90; 104.05; 90	1069.32	Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle. Organic letters, 2017, 19, 5352-5355
1547394	CIF	C23 H27 F N2 O3	P 21 21 21	10.1934; 11.1437; 19.3947 90; 90; 90	2203.1	Paladhi, Sushovan; Park, Sang Yeon; Yang, Jung Woon; Song, Choong Eui Asymmetric Synthesis of α-Fluoro-β-Amino-oxindoles with Tetrasubstituted C-F Stereogenic Centers via Cooperative Cation-Binding Catalysis. Organic letters, 2017, 19, 5336-5339
1547395	CIF	C24 H18 F3 N O3 S	P -1	8.0793; 9.9652; 13.6943 93.198; 105.789; 91.377	1058.42	Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes. Organic letters, 2017, 19, 5402-5405
1547396	CIF	C24 H18 F3 N O3 S	P 1 21/n 1	11.3446; 15.1444; 13.1535 90; 104.43; 90	2188.57	Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes. Organic letters, 2017, 19, 5402-5405
1547397	CIF	C22 H17 N O3 S	P 1 21/n 1	10.6461; 7.0696; 23.381 90; 95.897; 90	1750.4	Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes. Organic letters, 2017, 19, 5402-5405
1547398	CIF	C23 H29 B O2	P 21 21 21	6.8529; 11.4799; 26.6681 90; 90; 90	2098	Chen, Chenhui; Shen, Xuzhong; Chen, Jianhui; Hong, Xin; Lu, Zhan Iron-Catalyzed Hydroboration of Vinylcyclopropanes. Organic letters, 2017, 19, 5422-5425
1547399	CIF	C23 H18 Br N O3	P -1	11.626; 13.194; 13.907 107.517; 91.291; 105.046	1952.8	Zhang, Yuwen; Tong, Xiaofeng Construction of Complex 1,3-Cyclohexadienes via Phosphine-Catalyzed (4 + 2) Annulations of δ-Acetoxy Allenoates and Ketones. Organic letters, 2017, 19, 5462-5465
1547400	CIF	C15 H20 O4	P -1	7.3638; 8.8975; 11.801 68.539; 84.494; 78.362	704.6	Zhang, Yuwen; Tong, Xiaofeng Construction of Complex 1,3-Cyclohexadienes via Phosphine-Catalyzed (4 + 2) Annulations of δ-Acetoxy Allenoates and Ketones. Organic letters, 2017, 19, 5462-5465
1547401	CIF	C31 H23 Br2 N3 Pd	P -1	14.242; 15.1637; 15.545 61.832; 68.911; 89.354	2709.5	Karthik, Shanmugam; Gandhi, Thirumanavelan Palladium(II)/N-Heterocyclic Carbene-Catalyzed Direct C-H Acylation of Heteroarenes with N-Acylsaccharins. Organic letters, 2017, 19, 5486-5489
1547402	CIF	C24 H30 Cu3 Lu2 O36	P 6/m c c	14.021; 14.021; 15.713 90; 90; 120	2675.1	Cancino, Patricio; Paredes-Garcia, Veronica; Torres, Julia; Martínez, Sebastián; Kremer, Carlos; Spodine, Evgenia {[Cu3Lu2(ODA)6(H2O)6]•10H2O}n . First heterometallic framework based on copper(II)/lutetium(III) for the catalytic oxidation of olefins and aromatic benzylic substrates. Catal. Sci. Technol., 2017
1547403	CIF	C44 H58 Br2 S4	P -1	12.463; 13.493; 15.328 64.971; 73.14; 82.198	2234.9	Mayorga Burrezo, Paula; Domínguez, Rocío; Zafra, José L.; Pappenfus, Ted M.; de la Cruz, Pilar; Welte, Lorena; Janzen, Daron Edward; lopez navarrete, juan teodomiro; Langa, Fernando; Casado Cordón, Juan Oligomers of Cyclopentadithiophene-Vinylene in Aromatic and Quinoidal Versions and Redox Species with Intermediate Forms Chem. Sci., 2017
1547404	CIF	C36 H90 Ce Li N6 O9 Si6	P 1 21/c 1	11.389; 34.79; 14.0047 90; 92.144; 90	5545.1	Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W. Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex Chem. Sci., 2017
1547405	CIF	C38.25 H86 Ce1.5 Li N5 O8.25 Si6	P -1	15.06; 15.339; 25.158 89.555; 89.167; 84.713	5786.2	Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W. Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex Chem. Sci., 2017
1547406	CIF	C36 H90 Ce Li N5 O7 Si6	P 1 21/c 1	16.2803; 15.8306; 22.128 90; 109.57; 90	5373.5	Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W. Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex Chem. Sci., 2017
1547407	CIF	C39 H99 Ce Li N5 O7 Si7	P 1 21/n 1	19.3389; 15.0467; 21.7679 90; 107.901; 90	6027.5	Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W. Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex Chem. Sci., 2017
1547408	CIF	C11 H12 N4 O2 S	P n a 21	14.4393; 8.1764; 21.7395 90; 90; 90	2566.6	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547409	CIF	C11 H12 N4 O2 S	P n a 21	14.4687; 8.1829; 21.8084 90; 90; 90	2582	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547410	CIF	C11 H12 N4 O2 S	P n a 21	14.4829; 8.1938; 21.8441 90; 90; 90	2592.24	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547411	CIF	C11 H12 N4 O2 S	P n a 21	14.4899; 8.2086; 21.9106 90; 90; 90	2606.09	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547412	CIF	C11 H12 N4 O2 S	P n a 21	14.4902; 8.2249; 22.0106 90; 90; 90	2623.2	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547413	CIF	C11 H12 N4 O2 S	P n a 21	14.4588; 8.18; 21.7664 90; 90; 90	2574.38	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547414	CIF	C11 H12 N4 O2 S	P n a 21	14.4597; 8.1802; 21.7812 90; 90; 90	2576.35	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547415	CIF	C11 H12 N4 O2 S	P n a 21	14.4638; 8.1835; 21.7953 90; 90; 90	2579.79	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547416	CIF	C11 H12 N4 O2 S	P n a 21	14.4666; 8.1868; 21.8103 90; 90; 90	2583.11	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547417	CIF	C11 H12 N4 O2 S	P n a 21	14.4701; 8.1889; 21.8216 90; 90; 90	2585.73	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547418	CIF	C11 H12 N4 O2 S	P n a 21	14.4734; 8.1921; 21.8397 90; 90; 90	2589.48	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547419	CIF	C11 H12 N4 O2 S	P n a 21	14.4763; 8.1946; 21.8522 90; 90; 90	2592.27	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547420	CIF	C11 H12 N4 O2 S	P n a 21	14.4795; 8.1974; 21.8693 90; 90; 90	2595.76	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547421	CIF	C11 H12 N4 O2 S	P n a 21	14.4814; 8.1993; 21.8844 90; 90; 90	2598.5	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547422	CIF	C11 H12 N4 O2 S	P n a 21	14.4852; 8.202; 21.9002 90; 90; 90	2601.91	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547423	CIF	C11 H12 N4 O2 S	P n a 21	14.4884; 8.2048; 21.9167 90; 90; 90	2605.34	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547424	CIF	C11 H12 N4 O2 S	P n a 21	14.4914; 8.2069; 21.9332 90; 90; 90	2608.5	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547425	CIF	C11 H12 N4 O2 S	P n a 21	14.495; 8.2094; 21.9489 90; 90; 90	2611.81	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547426	CIF	C11 H12 N4 O2 S	P n a 21	14.4973; 8.2118; 21.9658 90; 90; 90	2615	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547427	CIF	C11 H12 N4 O2 S	P n a 21	14.5008; 8.2141; 21.9821 90; 90; 90	2618.31	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547428	CIF	C11 H12 N4 O2 S	P n a 21	14.504; 8.2162; 21.9984 90; 90; 90	2621.5	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547429	CIF	C11 H12 N4 O2 S	P b c a	9.0785; 11.5265; 22.8581 90; 90; 90	2391.95	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547430	CIF	C11 H12 N4 O2 S	P b c a	9.0963; 11.5574; 22.8612 90; 90; 90	2403.39	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547431	CIF	C11 H12 N4 O2 S	P b c a	9.0885; 11.5482; 22.7898 90; 90; 90	2391.9	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547432	CIF	C11 H12 N4 O2 S	P b c a	9.0907; 11.5779; 22.8104 90; 90; 90	2400.82	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547433	CIF	C11 H12 N4 O2 S	P b c a	9.1074; 11.6193; 22.8456 90; 90; 90	2417.56	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547434	CIF	C11 H12 N4 O2 S	P b c a	9.1228; 11.6522; 22.8488 90; 90; 90	2428.8	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547435	CIF	C11 H12 N4 O2 S	P b c a	9.1349; 11.6868; 22.866 90; 90; 90	2441.12	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547436	CIF	C11 H12 N4 O2 S	P b c a	9.0823; 11.5422; 22.8439 90; 90; 90	2394.72	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547437	CIF	C11 H12 N4 O2 S	P b c a	9.0881; 11.5538; 22.8478 90; 90; 90	2399.07	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547438	CIF	C11 H12 N4 O2 S	P b c a	9.0992; 11.5635; 22.8525 90; 90; 90	2404.51	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547439	CIF	C11 H12 N4 O2 S	P b c a	9.0972; 11.5751; 22.8531 90; 90; 90	2406.45	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547440	CIF	C11 H12 N4 O2 S	P b c a	9.1048; 11.5802; 22.8576 90; 90; 90	2410	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547441	CIF	C11 H12 N4 O2 S	P b c a	9.1064; 11.5845; 22.8569 90; 90; 90	2411.25	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547442	CIF	C11 H12 N4 O2 S	P b c a	9.107; 11.5902; 22.8593 90; 90; 90	2412.84	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547443	CIF	C11 H12 N4 O2 S	P b c a	9.1066; 11.5983; 22.8627 90; 90; 90	2414.78	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547444	CIF	C11 H12 N4 O2 S	P b c a	9.1158; 11.6222; 22.8715 90; 90; 90	2423.14	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547445	CIF	C11 H12 N4 O2 S	P b c a	9.12; 11.6339; 22.8697 90; 90; 90	2426.5	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547446	CIF	C11 H12 N4 O2 S	P b c a	9.1237; 11.6442; 22.8738 90; 90; 90	2430.07	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547447	CIF	C11 H12 N4 O2 S	P b c a	9.128; 11.6579; 22.8759 90; 90; 90	2434.3	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547448	CIF	C11 H12 N4 O2 S	P b c a	9.1311; 11.6667; 22.88 90; 90; 90	2437.4	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547449	CIF	C11 H12 N4 O2 S	P b c a	9.1357; 11.6782; 22.8834 90; 90; 90	2441.4	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547450	CIF	C11 H12 N4 O2 S	P b c a	9.1405; 11.6923; 22.8838 90; 90; 90	2445.67	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547451	CIF	C11 H12 N4 O2 S	P b c a	9.1415; 11.7002; 22.8837 90; 90; 90	2447.58	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547452	CIF	C11 H12 N4 O2 S	P b c a	9.1445; 11.713; 22.8862 90; 90; 90	2451.33	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547453	CIF	C72 H81 I3 P6 Pd3	P -1	9.375; 24.889; 32.6086 91.535; 96.019; 96.156	7517.6	Hasegawa, Hirokazu; Nagata, Yuuya; Terao, Ken; Suginome, Michinori Synthesis and Solution Properties of a Rigid Helical Star Polymer: Three-Arm Star Poly(quinoxaline-2,3-diyl) Macromolecules, 2017, 50, 7491
1547454	CIF	C25 H23 N O7 S	P 21 21 21	9.60806; 11.4151; 20.1805 90; 90; 90	2213.34	Takizawa, Shinobu; Sako, Makoto; Abozeid, Mohamed Ahmed; Kishi, Kenta; Wathsala, H. D. P.; Hirata, Shuichi; Murai, Kenichi; Fujioka, Hiromichi; Sasai, Hiroaki Enantio- and Diastereoselective Betti/aza-Michael Sequence: Single Operated Preparation of Chiral 1,3-Disubstituted Isoindolines. Organic letters, 2017, 19, 5426-5429
1547455	CIF	C19 H16 F5 N O2	P 1 21/c 1	7.5979; 16.309; 13.633 90; 91.809; 90	1688.5	Zhang, Yunxiao; Yan, Weitao; Wang, Yukang; Weng, Zhiqiang Copper-Catalyzed Synthesis of Indol-3-yl α-(Difluoromethyl)-α-(trifluoromethyl)carbinols: Construction of Difluoromethylated sp(3) Carbon Centers. Organic letters, 2017, 19, 5478-5481
1547456	CIF	C16 H15 F2 N3 O	P 1 21/c 1	17.687; 10.7866; 7.8181 90; 92.685; 90	1489.9	Zhang, Yunxiao; Yan, Weitao; Wang, Yukang; Weng, Zhiqiang Copper-Catalyzed Synthesis of Indol-3-yl α-(Difluoromethyl)-α-(trifluoromethyl)carbinols: Construction of Difluoromethylated sp(3) Carbon Centers. Organic letters, 2017, 19, 5478-5481
1547457	CIF	C24 H30 N8	P -1	9.4167; 14.0835; 17.8245 80.071; 89.817; 79.781	2290.6	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547458	CIF	C26 H32 F6 N8 O6 S2	C 1 2/c 1	30.0913; 10.7187; 23.0764 90; 116.049; 90	6687	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547459	CIF	C18 H16 N2 O2	C 1 2/c 1	15.7795; 8.7261; 21.0431 90; 101.069; 90	2843.6	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547460	CIF	C19 H15 Cl N2 O2	P 1 21/c 1	10.335; 31.4198; 9.5959 90; 90.414; 90	3115.93	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547461	CIF	C22 H28 Cl2 N8	P -1	10.14276; 10.2202; 11.6711 79.961; 89.7958; 87.646	1190.3	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547462	CIF	C29 H22 N2 O2	P b c a	19.4045; 7.14236; 30.4827 90; 90; 90	4224.72	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547463	CIF	C24 H17 F3 N2 O2	P 1 n 1	9.8771; 10.6875; 36.521 90; 96.428; 90	3831	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547464	CIF	C20 H18 N2 O2	P -1	11.5272; 12.3657; 12.7398 100.159; 112.561; 92.319	1638.97	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547465	CIF	C96 H82 N6 O5	P -1	11.9737; 15.384; 21.9422 70.396; 80.794; 74.763	3662.21	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547466	CIF	C25 H23 Cl N2 O3 S	P 1 21/n 1	9.1959; 11.7982; 21.0279 90; 100.29; 90	2244.73	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547467	CIF	C256 H288 Au52 S32	P -1	19.222; 19.8976; 21.4243 116.588; 95.458; 95.019	7216.1	Zhuang, Shengli; Liao, Lingwen; Li, Man-Bo; Yao, Chuanhao; Zhao, Yan; Dong, Hongwei; Li, Jin; Deng, Haiteng; Li, Lingling; Wu, Zhikun The fcc structure isomerization in gold nanoclusters Nanoscale, 2017
1547468	CIF	C164 H232 Ag51 Br6 F18 P8 S16 Sb3	C 1 2/c 1	34.3699; 36.2763; 26.3392 90; 95.223; 90	32703.7	Zou, Xuejuan; Jin, Shan; Du, Wenjun; Li, Yangfeng; Wang, Shuxin; li, peng; Zhu, Manzhou Multi-Ligand-Directed Synthesis of Chiral Silver Nanoclusters Nanoscale, 2017
1547469	CIF	C256 H303 Ag32 Cl10 F17.96 P10 S13 Sb3	P -1	24.4964; 36.3669; 38.1702 102.631; 98.305; 100.372	32035	Zou, Xuejuan; Jin, Shan; Du, Wenjun; Li, Yangfeng; Wang, Shuxin; li, peng; Zhu, Manzhou Multi-Ligand-Directed Synthesis of Chiral Silver Nanoclusters Nanoscale, 2017
1547470	CIF	C13 H6 F5 N3 O3	P 1 21/c 1	8.404; 13.281; 11.867 90; 102.612; 90	1292.6	Roy Chowdhury, Additi; Mondal, Amita; Roy, Biswajit Gopal; K, Jagadeesh C. Bose; Mukhopadhyay, Sudit; Banerjee, Priyabrata Hydrazine functionalized probes for chromogenic and fluorescent ratiometric sensing of pH and F−: experimental and DFT studies Photochem. Photobiol. Sci., 2017
1547471	CIF	C22 H11 F10 N5 O2	P -1	9.1588; 10.6738; 11.2243 96.254; 90.635; 93.181	1088.91	Roy Chowdhury, Additi; Mondal, Amita; Roy, Biswajit Gopal; K, Jagadeesh C. Bose; Mukhopadhyay, Sudit; Banerjee, Priyabrata Hydrazine functionalized probes for chromogenic and fluorescent ratiometric sensing of pH and F−: experimental and DFT studies Photochem. Photobiol. Sci., 2017
1547472	CIF	Ca0.08 Fe1.6 Mg2.8 Mn0.04 Na0.12 O12 Si3.6	P n m a	5.05; 6.92; 4.82 90; 90; 90	168.44	Oliver Tschauner; Chi Ma; John R. Beckett; Clemens Prescher; Vitali B. Prakapenka; George R. Rossman Bridgmanite - the most abundant mineral in Earth discovered in the Tenham L6 Chondrite Science, 2014, 346, 1100-1102
1547473	CIF	C37 H51 N3 O4 Ru	P 1 21/n 1	16.0174; 10.8674; 20.309 90; 104.291; 90	3425.7	Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H. Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands Chemical Science, 2014, 5, 4091-4098
1547474	CIF	C37 H49 N3 O4 Ru	P -1	10.8243; 11.4812; 15.4419 74.516; 85.839; 64.889	1672.8	Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H. Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands Chemical Science, 2014, 5, 4091-4098
1547475	CIF	C37 H49 N3 O4 Ru	P -1	10.8191; 11.4795; 15.4551 74.51; 85.583; 64.732	1671.3	Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H. Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands Chemical Science, 2014, 5, 4091-4098
1547476	CIF	C35 H47 N3 O4 Ru	P 1 21/n 1	10.5222; 19.595; 15.8493 90; 99.34; 90	3224.5	Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H. Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands Chemical Science, 2014, 5, 4091-4098
1547477	CIF	C41 H61 N3 O5 Ru	P -1	10.5807; 11.4363; 18.2848 77.754; 78.1; 63.815	1924.23	Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H. Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands Chemical Science, 2014, 5, 4091-4098
1547478	CIF	C9 H18 Fe2 N5 O3 S2	P b c a	14.24; 14.263; 14.821 90; 90; 90	3010	Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y. Redox active iron nitrosyl units in proton reduction electrocatalysis Nature Communications, 2014, 5, 3684
1547479	CIF	C20 H24 O6	P 21 21 21	7.3454; 10.9165; 22.3527 90; 90; 90	1792.37	Shibuya, Grant M.; Enquist, John A., Jr.; Stoltz, Brian M. Enantioselective Synthesis of the 5-6-7 Carbocyclic Core of the Gagunin Diterpenoids Organic Letters, 2013, 15, 3480-3483
1547480	CIF	C18 H22 O4	P 21 21 21	7.1115; 8.2413; 26.074 90; 90; 90	1528.15	Shibuya, Grant M.; Enquist, John A., Jr.; Stoltz, Brian M. Enantioselective Synthesis of the 5-6-7 Carbocyclic Core of the Gagunin Diterpenoids Organic Letters, 2013, 15, 3480-3483
1547481	CIF	C68 H55 Ca F9 Mn3 N6 O20 S3	P 1 21/c 1	13.5027; 19.1805; 27.433 90; 91.337; 90	7102.9	Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299
1547482	CIF	C64 H45 Ca F9 Mn3 N6 O21 S3	P -1	14.7053; 14.7735; 18.5085 69.988; 72.802; 69.91	3475.2	Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299
1547483	CIF	C76 H65 Ca F6 Mn3 N6 O19 S2	P 1 21/c 1	11.679; 27.0308; 25.7452 90; 93.682; 90	8110.8	Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299
1547484	CIF	C75 H57 Cl2 F9 Mn3 N6 O20 S3 Sr	P 1 21/n 1	16.0744; 26.0588; 20.2364 90; 105.055; 90	8185.7	Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299
1547485	CIF	C76 H65 F6 Mn3 N6 O19 S2 Sr	P 1 21/c 1	11.7071; 27.1019; 25.4494 90; 93.564; 90	8059.1	Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299
1547486	CIF	C67.4 H47.11 F9 Mn3 N7.7 O18 S3 Zn	P -1	14.3484; 14.3923; 18.5632 72.643; 73.273; 70.956	3380.7	Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299
1547487	CIF	C126 H90 F12 Mn6 N12 Na2 O31.74 S4	P -1	13.5641; 15.0073; 16.813 102.848; 109.783; 93.581	3104.3	Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299
1547488	CIF	C72 H65 F9 Mn3 N6 O21 S3 Y	P 1 21/c 1	14.7253; 25.28; 23.717 90; 102.212; 90	8629	Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299
1547489	CIF	C15 H14 O4	P 1 21/c 1	12.1023; 8.2733; 13.0573 90; 105.335; 90	1260.83	Hsu, Day-Shin; Yeh, Jen-Yu; Cheng, Chiao-Yun Total Synthesis of the Proposed Structure of (±)-Nidemone. Organic letters, 2017, 19, 5549-5552
1547490	CIF	C74 H122 Cl10 I4 P2 Pd2	P -1	9.8299; 14.231; 17.386 102.214; 101.847; 98.259	2281.5	Krause, Sarah B.; McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A. A Bench-Stable, Single-Component Precatalyst for Silyl-Heck Reactions. Organic letters, 2017, 19, 5641-5644
1547491	CIF	C64 H102 P2 Pd	P 1 21/c 1	13.9909; 21.5456; 10.7208 90; 105.505; 90	3114.1	Krause, Sarah B.; McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A. A Bench-Stable, Single-Component Precatalyst for Silyl-Heck Reactions. Organic letters, 2017, 19, 5641-5644
1547492	CIF	C25 H29 N O5	R 3 :H	19.7299; 19.7299; 30.7413 90; 90; 120	10363.4	Cui, Hui; Lin, Yun; Luo, Mingchu; Lu, Yongjun; Huang, Xishan; She, Zhigang Diaporisoindoles A-C: Three Isoprenylisoindole Alkaloid Derivatives from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3. Organic letters, 2017, 19, 5621-5624
1547493	CIF	Ba8 Cu14 Ge6 P26	P m -3 n	10.0626; 10.0626; 10.0626 90; 90; 90	1018.9	Wang, Jian; Lebedev, Oleg I.; Lee, Kathleen; Dolyniuk, Juli-Anna; Klavins, Peter; Bux, Sabah K.; Kovnir, Kirill High-efficiency Thermoelectric Ba8Cu14Ge6P26: Bridging the gap between tetrel-based and tetrel-free clathrates Chem. Sci., 2017
1547494	CIF	C56 H48 Br2 N2 Ni	P 1 21/n 1	12.777; 19.699; 18.981 90; 106.55; 90	4579.5	Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst Polym. Chem., 2017
1547495	CIF	C56 H48 Cl2 N2 Ni	R -3	29.579; 29.579; 32.113 90; 90; 120	24332	Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst Polym. Chem., 2017
1547496	CIF	C58 H52 Br2 N2 Ni	P 1 21 1	10.452; 19.191; 12.944 90; 91.09; 90	2595.9	Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst Polym. Chem., 2017
1547497	CIF	C15 H20 O5	P 21 21 21	6.9835; 13.171; 14.818 90; 90; 90	1363	Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia. Journal of natural products, 2017, 80, 2666-2676
1547498	CIF	C15 H18 O5	P 21 21 21	9.7788; 9.8113; 13.9226 90; 90; 90	1335.77	Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia. Journal of natural products, 2017, 80, 2666-2676
1547499	CIF	C19 H16 Cl N Pd S	P 1 21/n 1	14.971; 8.5731; 26.443 90; 96.075; 90	3374.8	Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K. Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms Dalton Transactions, 2017, 46, 15235-15248
1547500	CIF	C19 H16 Cl N Pd Se	P 21 21 21	5.5753; 8.462; 36.235 90; 90; 90	1709.5	Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K. Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms Dalton Transactions, 2017, 46, 15235-15248
1547501	CIF	C20 H20 Cl5 N Pd Se	P 1 21/n 1	15.624; 9.9535; 15.7 90; 94.12; 90	2435.3	Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K. Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms Dalton Transactions, 2017, 46, 15235-15248
1547502	CIF	C19.5 H20 Cl3 N Pd S	P -1	9.2268; 11.055; 21.199 84.46; 82.473; 72.438	2040.1	Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K. Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms Dalton Transactions, 2017, 46, 15235-15248
1547503	CIF	C19 H17 N S	P 1 21 1	5.247; 14.195; 10.646 90; 101.61; 90	776.7	Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K. Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms Dalton Transactions, 2017, 46, 15235-15248
1547504	CIF	C114.47 H115.78 B3 N12.82 O14.82	C 1 2/c 1	23.269; 18.286; 33.209 90; 92.92; 90	14112	Danjo, Hiroshi; Hamaguchi, Masahiro; Asai, Kohei; Nakatani, Mizuki; Kawanishi, Hiroko; Kawahata, Masatoshi; Yamaguchi, Kentaro Proton-Induced Assembly‒Disassembly Modulation of Spiroborate Twin-Bowl Polymers Bearing Pyridyl Groups Macromolecules, 2017, 50, 8028
1547505	CIF	C18 H17 N O3	P 1 21/n 1	9.8851; 5.5559; 27.8824 90; 94.53; 90	1526.54	Das, Tamal Kanti; Mondal, Santigopal; Gonnade, Rajesh G.; Biju, Akkattu T. Base-Free and Catalyst-Free Synthesis of Functionalized Dihydrobenzoxazoles via Vinylogous Carbonate to Carbamate Rearrangement. Organic letters, 2017, 19, 5597-5600
1547506	CIF	C34 H33 N O7 S	P n a 21	21.688; 9.136; 30.698 90; 90; 90	6082.5	Chen, Junlong; Huang, You Phosphine-Catalyzed Sequential [4 + 3] Domino Annulation/Allylic Alkylation Reaction of MBH Carbonates: Efficient Construction of Seven-Membered Heterocycles. Organic letters, 2017, 19, 5609-5612
1547507	CIF	C12 H22 F3 N O3 S	P 1 21/c 1	11.0625; 8.6759; 17.0878 90; 107.297; 90	1565.9	Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608
1547508	CIF	C19 H34 F3 N3 O3 S	P 1 21/c 1	13.4671; 8.2755; 20.6849 90; 100.909; 90	2263.6	Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608
1547509	CIF	C23 H42 F3 N3 O3 S	P 1 21/n 1	10.299; 8.3668; 29.872 90; 92.79; 90	2571	Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608
1547510	CIF	C19 H33 F3 N3 O3 S	P 1 21/c 1	13.4463; 8.2683; 20.7728 90; 101.259; 90	2265.03	Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608
1547511	CIF	C23 H41 F3 N3 O3 S	P b c a	17.684; 17.465; 33.978 90; 90; 90	10494	Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608
1547512	CIF	C20 H33 F6 N3 O6 S2	P 1 21/c 1	15.6706; 12.5278; 14.3707 90; 110.805; 90	2637.3	Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608
1547513	CIF	C26 H44 F6 N4 O6 S2	P n a 21	23.095; 13.2861; 10.6916 90; 90; 90	3280.6	Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608
1547514	CIF	C13 H15 N O2	P -1	7.3581; 9.0853; 9.4911 108.041; 101.319; 98.946	575.42	Shemet, Andrej; Carreira, Erick M. Total Synthesis of (-)-Rhazinilam and Formal Synthesis of (+)-Eburenine and (+)-Aspidospermidine: Asymmetric Cu-Catalyzed Propargylic Substitution. Organic letters, 2017, 19, 5529-5532
1547515	CIF	C21 H26 N2 O2	P 1 21/n 1	8.3072; 23.509; 8.9287 90; 98.124; 90	1726.2	Shemet, Andrej; Carreira, Erick M. Total Synthesis of (-)-Rhazinilam and Formal Synthesis of (+)-Eburenine and (+)-Aspidospermidine: Asymmetric Cu-Catalyzed Propargylic Substitution. Organic letters, 2017, 19, 5529-5532
1547516	CIF	C44 H76 Dy Fe2 N4 Si4	P b c a	20.025; 19.663; 24.499 90; 90; 90	9647	Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes Chem. Sci., 2017
1547517	CIF	C44 H76 Er Fe2 N4 Si4	P b c a	19.7942; 19.8223; 24.603 90; 90; 90	9653.4	Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes Chem. Sci., 2017
1547518	CIF	C43 H43 Fe5 N Na O19 P	P 1 21/c 1	20.271; 13.329; 19.582 90; 106.9; 90	5062.4	Loewen, Natalia D.; Neelakantan, Taruna V.; Berben, Louise A. Renewable Formate from C-H Bond Formation with CO2: Using Iron Carbonyl Clusters as Electrocatalysts. Accounts of chemical research, 2017, 50, 2362-2370
1547519	CIF	C38 H39 F2 N5 O3	P 1 21 1	12.1734; 11.7178; 15.5279 90; 110.903; 90	2069.21	Jiang, Yan; Zhuang, Chunlin; Chen, Long; Lu, Junjie; Dong, Guoqiang; Miao, Zhenyuan; Zhang, Wannian; Li, Jian; Sheng, Chunquan Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors. Journal of medicinal chemistry, 2017, 60, 9400-9406
1547520	CIF	C22 H29 N O3	P 1 21 1	16.6578; 9.9005; 12.3571 90; 102.887; 90	1986.6	Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge. Journal of natural products, 2017, 80, 2509-2514
1547521	CIF	C22 H28 O4	P 1 21 1	7.867; 11.4726; 10.1815 90; 93.641; 90	917.08	Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge. Journal of natural products, 2017, 80, 2509-2514
1547522	CIF	C21 H28 O3	P 21 21 21	10.021; 13.4995; 26.1852 90; 90; 90	3542.29	Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge. Journal of natural products, 2017, 80, 2509-2514
1547523	CIF	C19 H13 N5	C 1 2/c 1	17.907; 7.805; 25.346 90; 92.386; 90	3539	Philip, Abbey M.; Kuriakose, Febin; Hariharan, Mahesh Unsolicited Photoexcited-State Pathways Relegate the Long-Lived Charge Separation in Self-Assembled Nucleobase–Arene Conjugate The Journal of Physical Chemistry C, 2017, 121, 23259
1547524	CIF	C22.78 H30.48 Ag4 N1.7 Na6.96 Ni2 O35.69 S8	P b c a	25.054; 17.452; 26.296 90; 90; 90	11498	Biltek, Scott R.; Reber, Arthur C.; Khanna, Shiv N.; Sen, Ayusman Complete Ag4M2(DMSA)4 (M = Ni, Pd, Pt, DMSA = Dimercaptosuccinic Acid) Cluster Series: Optical Properties, Stability, and Structural Characterization. The journal of physical chemistry. A, 2017, 121, 5324-5331
1547525	CIF	C39 H34 F6 N2 O7 S2	P -1	8.1458; 14.503; 15.696 89.66; 89.057; 76.492	1802.8	Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications. The journal of physical chemistry. A, 2017, 121, 5842-5855
1547526	CIF	C35 H31 F12 N3 O P2	P b c a	13.703; 22.2261; 23.066 90; 90; 90	7025.1	Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications. The journal of physical chemistry. A, 2017, 121, 5842-5855
1547527	CIF	C31 H30 Br F N2 O8 S	P 1 21 1	13.794; 7.4068; 15.014 90; 99.751; 90	1511.8	Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine. Organic letters, 2017, 19, 5637-5640
1547528	CIF	C27 H22 Br Cl N2 O6 S	P -1	7.762; 12.126; 14.58 100.941; 98.338; 93.2	1328.2	Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine. Organic letters, 2017, 19, 5637-5640
1547529	CIF	C39 H35 N O2 P2	P 1 21 1	8.275; 22.39; 9.224 90; 109.92; 90	1607	Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine. Organic letters, 2017, 19, 5637-5640
1547530	CIF	C10 H7 Br N2 O	P 1 21/n 1	7.1898; 19.2245; 7.5937 90; 113.318; 90	963.87	Wang, Qing-Qing; Xu, Kun; Jiang, Yang-Ye; Liu, Yong-Guo; Sun, Bao-Guo; Zeng, Cheng-Chu Electrocatalytic Minisci Acylation Reaction of N-Heteroarenes Mediated by NH4I. Organic letters, 2017, 19, 5517-5520
1547531	CIF	C262 H348 Ag8 Cl12 Cu8	P -1	20.1746; 20.4429; 34.225 87.8191; 73.8816; 72.2845	12900.8	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system Chem. Sci., 2017
1547532	CIF	C328 H396 Ag4 Au8 Cl12 Cu4	P -1	20.2863; 25.3095; 30.667 88.693; 83.335; 77.746	15282.8	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system Chem. Sci., 2017
1547533	CIF	C324 H396 Ag2.88 Au6 Cu3.12	C 1 2/c 1	80.2; 18.8497; 51.113 90; 128.112; 90	60796	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system Chem. Sci., 2017
1547534	CIF	C162 H198 Ag3 Au3	C 1 2/c 1	80.362; 18.8467; 51.284 90; 128.299; 90	60956	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system Chem. Sci., 2017
1547535	CIF	C162 H198 Au3 Cu3	C 1 2/c 1	79.645; 18.8256; 50.821 90; 127.383; 90	60548	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system Chem. Sci., 2017
1547536	CIF	C192 H252 Au6 Cu6	F d d d	24.72; 30.9053; 52.473 90; 90; 90	40088	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system Chem. Sci., 2017
1547537	CIF	C72 H108 Ag1.8 Au10.2	C 1 2/c 1	28.818; 12.9632; 25.496 90; 117.086; 90	8480	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system Chem. Sci., 2017
1547538	CIF	C9 H9 N O S	P 1 21 1	5.8614; 27.535; 5.9676 90; 119.351; 90	839.5	Malik, Guillaume; Swyka, Robert A.; Tiwari, Virendra K.; Fei, Xiang; Applegate, Gregory A.; Berkowitz, David B. A Thiocyanopalladation/Carbocyclization Transformation Identified Through Enzymatic Screening: Stereocontrolled Tandem C-SCN and C-C Bond Formation Chem. Sci., 2017
1547539	CIF	C15 H16 N2 O2 S2	P 1 21/n 1	16.354; 5.37; 17.896 90; 92.655; 90	1570	Malik, Guillaume; Swyka, Robert A.; Tiwari, Virendra K.; Fei, Xiang; Applegate, Gregory A.; Berkowitz, David B. A Thiocyanopalladation/Carbocyclization Transformation Identified Through Enzymatic Screening: Stereocontrolled Tandem C-SCN and C-C Bond Formation Chem. Sci., 2017
1547540	CIF	C26.5 H31 Br2 Cl N2 Ni	P 1 21/c 1	14.21; 14.561; 14.996 90; 110.079; 90	2914.3	D'Auria, Ilaria; Milione, Stefano; Caruso, Tonino; Balducci, Gabriele; Pellecchia, Claudio Synthesis of hyperbranched low molecular weight polyethylene oils by an iminopyridine nickel(II) catalyst Polym. Chem., 2017
1547541	CIF	C19.6 H23.4 Co N6.2 O3.2	P 42/n c m :2	18.576; 18.576; 7.3728 90; 90; 90	2544.1	Basu, Tathamay; Jesche, Anton; Denysenko, Dmytro; Bredenkoetter, Bjoern; Grzywa, Maciej; Volkmer, Dirk; Loidl, Alois; Krohns, Stephan Magnetodielectric coupling in a non-perovskite metal-organic framework Mater. Horiz., 2017
1547542	CIF	C108 H111 N3 O6	R -3 c	20.4648; 20.4648; 73.392 90; 90; 120	26619.2	Chen, Zhongtao; Zhao, Xiangxiang; Gong, Xinyi; Xu, Di; Ma, Yuguo Macrocyclic Trinuclear Nickel Phenoxyimine Catalysts for High-Temperature Polymerization of Ethylene and Isospecific Polymerization of Propylene Macromolecules, 2017, 50, 6561
1547543	CIF	C85 H124 K2 Nd2 Si8	P -1	12.3593; 16.1724; 24.4754 73.141; 77.708; 86.4	4574.5	Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study Macromolecules, 2017, 50, 6539
1547544	CIF	C42 H63 Nd O Si2	P 1 21/n 1	14.7082; 17.966; 15.8421 90; 99.754; 90	4125.7	Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study Macromolecules, 2017, 50, 6539
1547545	CIF	C44 H51 Nd O Si2	P 1 21/c 1	17.7814; 16.2167; 17.8483 90; 97.383; 90	5104	Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study Macromolecules, 2017, 50, 6539
1547546	CIF	C42 H63 La O Si2	P 1 21/c 1	17.331; 10.5012; 22.516 90; 100.695; 90	4026.6	Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study Macromolecules, 2017, 50, 6539
1547547	CIF	C42 H63 O Si2 Sm	P 1 21/n 1	14.6823; 17.9618; 15.83 90; 99.703; 90	4115	Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study Macromolecules, 2017, 50, 6539
1547548	CIF	C42 H63 O Pr Si2	P 1 21/n 1	14.7296; 17.9312; 15.8834 90; 99.596; 90	4136.4	Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study Macromolecules, 2017, 50, 6539
1547549	CIF	C38 H55 Si2 Y	P b c m	9.5747; 17.4837; 21.917 90; 90; 90	3668.9	Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study Macromolecules, 2017, 50, 6539
1547550	CIF	C43 H65 F N6 O10	P 21 21 21	8.6067; 19.0255; 28.0976 90; 90; 90	4600.89	Zhong, Zhihong; Du, Chong; Luo, Zhonghua; Song, Shuaihua; Liao, Gaohong; Yao, Jia; Goldmann, Siegfried; Wang, Zhongqing Identification, Characterization, Synthesis, and Strategy for Minimization of Potential Impurities Observed in the Synthesis of Solithromycin Organic Process Research & Development, 2017, 21, 1371
1547551	CIF	C16 H12 O S	P 21 21 21	7.5278; 12.6117; 13.7183 90; 90; 90	1302.39	Nguyen, Thanh Binh; Retailleau, Pascal DIPEA-Promoted Reaction of 2-Nitrochalcones with Elemental Sulfur: An Unusual Approach to 2-Benzoylbenzothiophenes. Organic letters, 2017, 19, 4858-4860
1547552	CIF	C14 H16 N2 O	P c c n	14.952; 18.354; 9.4968 90; 90; 90	2606.2	Zhu, Nengbo; Wang, Ting; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes. Organic letters, 2017, 19, 4718-4721
1547553	CIF	C18 H18.74 N2 O1.37	P 1 21/c 1	16.4116; 5.5613; 17.4699 90; 105.341; 90	1537.66	Zhu, Nengbo; Wang, Ting; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes. Organic letters, 2017, 19, 4718-4721
1547554	CIF	C26 H29 O P	P 1 21/c 1	7.3313; 19.6104; 15.1854 90; 98.05; 90	2161.69	Hu, Zhengsong; Tian, Rongqiang; Zhao, Kang; Liu, Yanjie; Duan, Zheng; Mathey, François Generation and Trapping of a 1-Phosphafulvene: An Illustration of the P═C/C═C Analogy. Organic letters, 2017, 19, 5004-5006

First | Previous 300 | of 1761 | Next 300 | Last | Display 5 20 50 100 200 300 500 1000 entries per page