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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
1547555	CIF	C23 H23 Br O3	P 1 21 1	5.5574; 11.2786; 16.5421 90; 99.257; 90	1023.35	Cheng, Yuyu; Han, Yuzhe; Li, Pengfei Organocatalytic Enantioselective [1 + 4] Annulation of Morita-Baylis-Hillman Carbonates with Electron-Deficient Olefins: Access to Chiral 2,3-Dihydrofuran Derivatives. Organic letters, 2017, 19, 4774-4777
1547556	CIF	C26 H23 N O	P 1 21/c 1	9.934; 22.154; 8.9741 90; 94.349; 90	1969.3	Gao, Shang; Liu, Hao; Yang, Chi; Fu, Zhiyuan; Yao, Hequan; Lin, Aijun Accessing 1,3-Dienes via Palladium-Catalyzed Allylic Alkylation of Pronucleophiles with Skipped Enynes. Organic letters, 2017, 19, 4710-4713
1547557	CIF	C37 H32 N2 O3	P -1	7.3961; 14.159; 14.7965 113.245; 93.815; 94.009	1412.7	Gao, Shang; Liu, Hao; Yang, Chi; Fu, Zhiyuan; Yao, Hequan; Lin, Aijun Accessing 1,3-Dienes via Palladium-Catalyzed Allylic Alkylation of Pronucleophiles with Skipped Enynes. Organic letters, 2017, 19, 4710-4713
1547558	CIF	C17 H17 N O3 S	P 1 21/c 1	9.8615; 12.1461; 14.1071 90; 107.15; 90	1614.6	Lee, Dabon; Kim, Sang Min; Hirao, Hajime; Hong, Soon Hyeok Gold(I)/Gold(III)-Catalyzed Selective Synthesis of N-Sulfonyl Enaminone Isomers from Sulfonamides and Ynones via Two Distinct Reaction Pathways. Organic letters, 2017, 19, 4734-4737
1547559	CIF	C15 H14 O5	P 1 21 1	9.82867; 6.11703; 11.6406 90; 100.472; 90	688.2	Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives. Organic letters, 2017, 19, 4722-4725
1547560	CIF	C14 H16 O4	P 1 21/c 1	8.22602; 15.4712; 10.0483 90; 103.364; 90	1244.18	Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives. Organic letters, 2017, 19, 4722-4725
1547561	CIF	C13 H12 O3	P 21 21 21	8.1779; 8.8079; 15.2085 90; 90; 90	1095.47	Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives. Organic letters, 2017, 19, 4722-4725
1547562	CIF	C15 H14 O5	C 1 2 1	16.4819; 5.7733; 14.4387 90; 106.49; 90	1317.4	Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives. Organic letters, 2017, 19, 4722-4725
1547563	CIF	C40 H35 Br N4 O3	P -1	10.6766; 10.7779; 15.8861 79.719; 73.665; 77.959	1701.6	Liu, Honglei; Jia, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao Synthesis of Spirobidihydropyrazole through Double 1,3-Dipolar Cycloaddition of Nitrilimines with Allenoates. Organic letters, 2017, 19, 4714-4717
1547564	CIF	C39 H34 N4 O2	P 1 21/c 1	9.704; 18.77; 17 90; 102.647; 90	3021.3	Liu, Honglei; Jia, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao Synthesis of Spirobidihydropyrazole through Double 1,3-Dipolar Cycloaddition of Nitrilimines with Allenoates. Organic letters, 2017, 19, 4714-4717
1547565	CIF	C46 H11 Cl5 F20 S4	P 1	8.198; 10.441; 13.934 101.832; 96.687; 104.041	1115	Panchal, Santosh P.; Anand, Venkataramanarao G. Oxidative Transformation of a Tetrathia S-Confused Isophlorin into Porphyrin Cation. Organic letters, 2017, 19, 4854-4857
1547566	CIF	C4 H4 N2 O2	P 1 n 1	3.8868; 5.4329; 10.8693 90; 97.068; 90	227.78	Rozen, Shlomo; Shaffer, Avshalom Synthesis of N,N-Dioxopyridazines. Organic letters, 2017, 19, 4707-4709
1547567	CIF	C15 H14 O3 S	P 1	7.8451; 8.3042; 11.06 76.583; 88.533; 75.925	679.46	Xia, Jingzhao; Nie, Yu; Yang, Guoqiang; Liu, Yangang; Zhang, Wanbin Iridium-Catalyzed Asymmetric Hydrogenation of 2H-Chromenes: A Highly Enantioselective Approach to Isoflavan Derivatives. Organic letters, 2017, 19, 4884-4887
1547568	CIF	C15 H13 Cl O	P 1 21 1	5.7624; 22.9736; 9.5587 90; 106.003; 90	1216.37	Xia, Jingzhao; Nie, Yu; Yang, Guoqiang; Liu, Yangang; Zhang, Wanbin Iridium-Catalyzed Asymmetric Hydrogenation of 2H-Chromenes: A Highly Enantioselective Approach to Isoflavan Derivatives. Organic letters, 2017, 19, 4884-4887
1547569	CIF	C33 H28 P2 S2	P -1	10.179; 10.178; 14.35 95.75; 95.75; 107.27	1399	Otomura, Nobutaka; Okugawa, Yuto; Hirano, Koji; Miura, Masahiro vic-Diphosphination of Alkenes with Silylphosphine under Visible-Light-Promoted Photoredox Catalysis. Organic letters, 2017, 19, 4802-4805
1547570	CIF	C20 H30 O3	P 1 21 1	10.1944; 6.53348; 13.5748 90; 95.12; 90	900.54	Xu, Bo; Xun, Wen; Wang, Tingzhong; Qiu, Fayang G. Total Synthesis of (+)-Aplykurodinone-1. Organic letters, 2017, 19, 4861-4863
1547571	CIF	C32 H50 Cu N4 O10	P -1	10.8093; 12.3197; 14.2754 88.759; 86.694; 66.762	1743.9	Tan, Guangying; Zhang, Luoqiang; Liao, Xingrong; Shi, Yang; Wu, Yimin; Yang, Yudong; You, Jingsong Copper- or Nickel-Enabled Oxidative Cross-Coupling of Unreactive C(sp(3))-H Bonds with Azole C(sp(2))-H Bonds: Rapid Access to β-Azolyl Propanoic Acid Derivatives. Organic letters, 2017, 19, 4830-4833
1547572	CIF	C17 H23 Br O	P 21 21 21	7.4193; 12.1143; 17.167 90; 90; 90	1543	Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids. Organic letters, 2017, 19, 4766-4769
1547573	CIF	C17 H23 Br	P -1	7.4409; 10.1018; 11.3589 68.534; 75.635; 69.502	737.19	Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids. Organic letters, 2017, 19, 4766-4769
1547574	CIF	C16 H21 Br	I 1 2/a 1	19.772; 6.1368; 23.6786 90; 94.152; 90	2865.5	Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids. Organic letters, 2017, 19, 4766-4769
1547575	CIF	C25 H22 N2 O6	P 1 21 1	11.5902; 7.8925; 25.534 90; 96.954; 90	2318.6	Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions. Organic letters, 2017, 19, 4896-4899
1547576	CIF	C21 H19 Br N2 O6	P 1	7.04; 7.063; 10.762 83.24; 79.64; 79.5	515.6	Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions. Organic letters, 2017, 19, 4896-4899
1547577	CIF	C37 H26 O2 S	P b c n	13.7489; 12.7062; 34.5595 90; 90; 90	6037.4	Wang, Ming; Chen, Shihao; Jiang, Xuefeng Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts. Organic letters, 2017, 19, 4916-4919
1547578	CIF	C15 H12 O2 S	P 1 21/c 1	11.6687; 8.3221; 12.6959 90; 101.677; 90	1207.36	Wang, Ming; Chen, Shihao; Jiang, Xuefeng Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts. Organic letters, 2017, 19, 4916-4919
1547579	CIF	C27 H18 O7	P 1 21/n 1	5.539; 15.1853; 24.1953 90; 91.286; 90	2034.59	Sasaki, Sayaka; Azuma, Eriko; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori Formation of Phenalenone Skeleton by an Unusual Rearrangement Reaction. Organic letters, 2017, 19, 4846-4849
1547580	CIF	C15 H20 F N O3	P 21 21 21	5.0624; 10.961; 26.361 90; 90; 90	1462.7	Zhang, Wandi; Chen, Weijie; Xiao, Hongde; Krische, Michael J. Carbonyl anti-(α-Amino)allylation via Ruthenium Catalyzed Hydrogen Autotransfer: Use of an Acetylenic Pyrrole as an Allylmetal Pronucleophile. Organic letters, 2017, 19, 4876-4879
1547581	CIF	C51 H42 Cl2 N4 Pd	P 21 21 21	13.308; 15.883; 19.472 90; 90; 90	4116	Nozawa, Ryo; Shinokubo, Hiroshi Synthesis and Properties of meso-Arylated Corrphycenes. Organic letters, 2017, 19, 4928-4931
1547582	CIF	C19 H19 Br N2 O	P n a 21	15.3885; 7.1222; 30.3 90; 90; 90	3320.9	Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds. Organic letters, 2017, 19, 4880-4883
1547583	CIF	C16 H20 N2 O	P 21 21 21	6.1299; 13.8742; 15.703 90; 90; 90	1335.5	Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds. Organic letters, 2017, 19, 4880-4883
1547584	CIF	C19 H20 N2 O	P c a 21	13.7527; 9.8191; 22.826 90; 90; 90	3082.4	Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds. Organic letters, 2017, 19, 4880-4883
1547585	CIF	C13 H14 N2 O3	P -1	6.1525; 9.8018; 10.5143 99.556; 103.113; 102.27	587.94	Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds. Organic letters, 2017, 19, 4880-4883
1547586	CIF	C15 H18 N2 O3	P 1 21/c 1	13.8893; 8.4698; 12.0582 90; 107.287; 90	1354.4	Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds. Organic letters, 2017, 19, 4880-4883
1547587	CIF	C21 H26 N2 O3 S	P 1 21 1	6.3959; 8.7834; 17.916 90; 100.037; 90	991.08	Mwenda, Edward T.; Nguyen, Hien M. Enantioselective Synthesis of 1,2-Diamines Containing Tertiary and Quaternary Centers through Rhodium-Catalyzed DYKAT of Racemic Allylic Trichloroacetimidates. Organic letters, 2017, 19, 4814-4817
1547588	CIF	C21 H26 N2 O3 S	P 1 21 1	6.3983; 8.7684; 17.9628 90; 99.675; 90	993.43	Mwenda, Edward T.; Nguyen, Hien M. Enantioselective Synthesis of 1,2-Diamines Containing Tertiary and Quaternary Centers through Rhodium-Catalyzed DYKAT of Racemic Allylic Trichloroacetimidates. Organic letters, 2017, 19, 4814-4817
1547589	CIF	C26 H21 Cl N3 O3	P 21 21 21	5.9123; 16.6068; 23.602 90; 90; 90	2317.35	Wang, Jie; Wang, Pengxin; Wang, Linqing; Li, Dan; Wang, Kezhou; Wang, Yuan; Zhu, Haiyong; Yang, Dongxu; Wang, Rui Nickel-Mediated Asymmetric Allylic Alkylation between Nitroallylic Acetates and Acyl Imidazoles. Organic letters, 2017, 19, 4826-4829
1547590	CIF	C8 H8 F4 N2 O4	P -1	8.8731; 9.0666; 15.314 91.196; 99.999; 115.544	1088.3	Schmitt, Etienne; Bouvet, Sébastien; Pégot, Bruce; Panossian, Armen; Vors, Jean-Pierre; Pazenok, Sergii; Magnier, Emmanuel; Leroux, Frédéric R Fluoroalkyl Amino Reagents for the Introduction of the Fluoro(trifluoromethoxy)methyl Group onto Arenes and Heterocycles. Organic letters, 2017, 19, 4960-4963
1547591	CIF	C78 H64 Cl2 Cu2 P4	P -1	19.295; 20.238; 21.0495 90.57; 100.738; 116.476	7188.2	You, Zhensheng; Li, Heng; Zhang, Lijun; Yu, Bing; Zhang, Jin; Wu, Xiaoming A Host Material for Deep-Blue Electrophosphorescence Based on a Cuprous Metal‒Organic Framework The Journal of Physical Chemistry C, 2017, 121, 23072
1547592	CIF	C47 H59 N3 O2 Si2 Zn	P 21 21 21	12.8077; 17.5384; 19.331 90; 90; 90	4342.3	Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands Macromolecules, 2017, 50, 7911
1547593	CIF	C48 H59 N3 O2 Si2 Zn	P 21 21 21	11.2307; 16.3927; 23.767 90; 90; 90	4375.5	Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands Macromolecules, 2017, 50, 7911
1547594	CIF	C53 H63 N3 O2 Si2 Zn	P 1 21 1	12.8617; 16.661; 12.9222 90; 116.765; 90	2472.4	Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands Macromolecules, 2017, 50, 7911
1547595	CIF	C48 H59 N3 O2 Si2 Zn	P 21 21 21	11.216; 16.373; 23.726 90; 90; 90	4357	Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands Macromolecules, 2017, 50, 7911
1547596	CIF	C52 H63 N3 O2 Si2 Zn	P -1	14.1487; 14.3923; 14.474 73.384; 63.551; 62.883	2336	Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands Macromolecules, 2017, 50, 7911
1547597	CIF	C45 H55 N3 O2 Si2 Zn	P 1 21/c 1	9.856; 14.0642; 31.121 90; 99.082; 90	4259.8	Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands Macromolecules, 2017, 50, 7911
1547598	CIF	C47 H57 N3 O2 Si2 Zn	P -1	11.974; 14.298; 15.031 72.657; 79.561; 86.664	2415.7	Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands Macromolecules, 2017, 50, 7911
1547599	CIF	C19 H17 Fe N O2	P 1 21/c 1	9.4767; 15.378; 10.8957 90; 111.006; 90	1482.3	Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes. Organic letters, 2017, 19, 5709-5712
1547600	CIF	C18 H13 Fe N O3	P 1 21/c 1	6.067; 13.753; 17.502 90; 99.914; 90	1438.6	Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes. Organic letters, 2017, 19, 5709-5712
1547601	CIF	C19 H17 Fe N O	P 1 21/c 1	19.945; 8.3402; 17.264 90; 91.165; 90	2871.2	Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes. Organic letters, 2017, 19, 5709-5712
1547602	CIF	C11 H9 F2 N O2	P -1	5.5743; 8.0878; 12.3099 107.2; 93.657; 103.638	509.85	Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect. Organic letters, 2017, 19, 5689-5692
1547603	CIF	C24 H20 F3 N O2	P -1	9.715; 9.964; 21.348 90.371; 94.727; 104.841	1989.9	Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect. Organic letters, 2017, 19, 5689-5692
1547604	CIF	C9 H7 F2 N O4	P 65	15.9119; 15.9119; 20.3939 90; 90; 120	4471.7	Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect. Organic letters, 2017, 19, 5689-5692
1547605	CIF	C13 H12 F3 N O4	P 1 21/n 1	12.455; 6.376; 16.642 90; 96.688; 90	1312.6	Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect. Organic letters, 2017, 19, 5689-5692
1547606	CIF	C18 H12	P 1 21/c 1	11.7846; 6.1519; 8.0708 90; 92.61; 90	584.51	Murai, Masahito; Iba, Shinji; Ota, Hiromi; Takai, Kazuhiko Azulene-Fused Linear Polycyclic Aromatic Hydrocarbons with Small Bandgap, High Stability, and Reversible Stimuli Responsiveness. Organic letters, 2017, 19, 5585-5588
1547607	CIF	C25 H35 N3 O	P 21 21 21	6.04476; 13.4804; 26.4744 90; 90; 90	2157.29	Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun "Carbon Assimilation" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads. Journal of agricultural and food chemistry, 2017, 65, 9013-9021
1547608	CIF	C24 H35 N O2	P 1 21 1	9.67127; 7.05127; 15.44464 90; 93.4847; 90	1051.3	Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun "Carbon Assimilation" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads. Journal of agricultural and food chemistry, 2017, 65, 9013-9021
1547609	CIF	C33 H35 S	P -1	8.9555; 11.3673; 13.8592 99.556; 93.199; 101.959	1355.1	Guo, Yijing; Li, Miao; Zhou, Yuanyuan; Song, Jinsheng; Bo, Zhishan; Wang, Hua Two-Dimensional Conjugated Polymer Based on sp2-Carbon Bridged Indacenodithiophene for Efficient Polymer Solar Cells Macromolecules, 2017, 50, 7984
1547610	CIF	C64 H74 S2	P -1	10.64; 15.198; 18.576 106.712; 93.358; 107.192	2714.4	Guo, Yijing; Li, Miao; Zhou, Yuanyuan; Song, Jinsheng; Bo, Zhishan; Wang, Hua Two-Dimensional Conjugated Polymer Based on sp2-Carbon Bridged Indacenodithiophene for Efficient Polymer Solar Cells Macromolecules, 2017, 50, 7984
1547611	CIF	C19 H19 Br O3	P 1 21 1	7.7292; 25.126; 9.073 90; 110.817; 90	1647	He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones. Organic letters, 2017, 19, 5513-5516
1547612	CIF	C19 H18 O2	P 21 21 21	5.8811; 13.6299; 18.7137 90; 90; 90	1500.07	He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones. Organic letters, 2017, 19, 5513-5516
1547613	CIF	C18 H15 Br O2	P 21 21 21	8.6567; 13.8347; 25.4021 90; 90; 90	3042.23	He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones. Organic letters, 2017, 19, 5513-5516
1547614	CIF	C25 H21 N O5	R 3 :H	31.8047; 31.8047; 11.8143 90; 90; 120	10349.5	He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones. Organic letters, 2017, 19, 5513-5516
1547615	CIF	C33 H20 Cl7 N O	P 1 21/c 1	12.1851; 15.4614; 17.05 90; 102.559; 90	3135.3	Shankar, Majji; Guntreddi, Tirumaleswararao; Ramesh, E.; Sahoo, Akhila K. Transformable Sulfoximine Assisted One-Pot Double Annulation of Vinylic C-H Bonds with Unactivated Alkynes. Organic letters, 2017, 19, 5665-5668
1547616	CIF	C22 H19 N O	P 1 21/c 1	10.19; 17.463; 9.5878 90; 106.025; 90	1639.8	Shankar, Majji; Guntreddi, Tirumaleswararao; Ramesh, E.; Sahoo, Akhila K. Transformable Sulfoximine Assisted One-Pot Double Annulation of Vinylic C-H Bonds with Unactivated Alkynes. Organic letters, 2017, 19, 5665-5668
1547617	CIF	C132 H118 Cl12 N8 Ni2 P2	P 1 21/c 1	12.6212; 16.587; 27.567 90; 95.009; 90	5749.1	Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017
1547618	CIF	C74 H69 N4 Ni P S2	P 1 21/c 1	12.9016; 16.642; 28.249 90; 95.324; 90	6039.1	Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017
1547619	CIF	C73 H57 Cl20 N4 Ni O5 P S2	P -1	14.5544; 16.058; 19.2527 80.162; 86.521; 67.319	4090.5	Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017
1547620	CIF	C71.65 H57 Cl14.59 N4 Ni O P S2	P -1	14.07; 15.707; 18.17 96.635; 103.033; 104.706	3719.8	Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017
1547621	CIF	C80 H69 N4 Ni O2 P	P 1 21/c 1	17.046; 11.8202; 31.451 90; 97.756; 90	6279	Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017
1547622	CIF	C65 H60 Cl4 N5 O P Pd S2	P 1 21/a 1	13.476; 18.301; 25.301 90; 103.474; 90	6068	Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017
1547623	CIF	C85.77 H73.77 Cl3 N6 Ni O7.59 P S2	P 1 21/c 1	15.0591; 27.873; 18.771 90; 101.374; 90	7724.2	Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017
1547624	CIF	C70 H58.89 Cl6 N4 Ni O3 P	P 1 21/n 1	15.25; 23.282; 18.497 90; 104.562; 90	6356.4	Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017
1547625	CIF	C75 H72 N6 Ni O P S2	C 1 2/c 1	41.875; 12.116; 33.342 90; 127.805; 90	13366	Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017
1547626	CIF	C73 H68 N4 Ni O5.5 P S2	C 1 2/c 1	28.316; 16.521; 32.462 90; 109.086; 90	14351	Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017
1547627	CIF	C18 H9 F12 N3 S	P 1 21/c 1	4.7617; 31.515; 13.2597 90; 92.153; 90	1988.4	Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation Chem. Sci., 2017
1547628	CIF	C16 H10 F6 N4 O2 S	P 1 21/c 1	12.2715; 8.4441; 16.4877 90; 93.794; 90	1704.7	Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation Chem. Sci., 2017
1547629	CIF	C16 H9 F6 N5 O4 S	P -1	8.8724; 9.8446; 12.3483 89.81; 71.081; 68.037	937.66	Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation Chem. Sci., 2017
1547630	CIF	C18 H13 F6 N3 O2 S	P 1 21/c 1	12.2731; 9.2592; 16.18 90; 91.897; 90	1837.7	Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation Chem. Sci., 2017
1547631	CIF	C38 H30 N2 P2 Pd	P -1	9.0667; 9.6985; 10.1017 111.13; 93.15; 108.191	772.96	Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T. Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes Chem. Sci., 2017
1547632	CIF	C24 H54 Br2 P2 Pd2	P 1 21/n 1	13.094; 14.447; 16.046 90; 92.715; 90	3032	Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T. Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes Chem. Sci., 2017
1547633	CIF	C24 H55 Br P2 Pd	C 1 2/c 1	12.7069; 34.9448; 14.1937 90; 116.366; 90	5646.9	Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T. Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes Chem. Sci., 2017
1547634	CIF	C52 H110 N4 P4 Pd3	P 1 21/c 1	12.1372; 16.2799; 16.5783 90; 110.126; 90	3075.72	Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T. Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes Chem. Sci., 2017
1547635	CIF	C25 H54 N P2 Pd	P -1	12.6035; 17.2591; 25.6455 90.2601; 90.0672; 90.8113	5577.9	Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T. Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes Chem. Sci., 2017
1547636	CIF	C8 H24 O6 Si5	P 1 21/n 1	10.043; 18.838; 11.15 90; 113.174; 90	1939.3	Wu, Chunyan; Hu, Chunhua Tony; Liu, Yuzhou Hyperbranched Polysiloxane with Highly Constrained Rings and the Effect of the Attached Arms on the Assembly Behavior Polym. Chem., 2017
1547637	CIF	C30 H32 F12 Mn2 N14 P2	P 1 21/c 1	9.5331; 16.22; 12.8433 90; 94.694; 90	1979.3	Liu, Yang; Chen, Yan-Cong; Wu, Si-Guo; Li, Quan-Wen; Chen, Wen-Bin; Liu, Jun-Liang; Tong, Ming-Liang Exploring the Inverse Magnetocaloric Effect in Discrete MnII Dimers The Journal of Physical Chemistry C, 2017, 121, 22727
1547638	CIF	C30 H32 B2 F8 Mn2 N14	P 1 21/c 1	9.3323; 16.1831; 12.3918 90; 95.304; 90	1863.5	Liu, Yang; Chen, Yan-Cong; Wu, Si-Guo; Li, Quan-Wen; Chen, Wen-Bin; Liu, Jun-Liang; Tong, Ming-Liang Exploring the Inverse Magnetocaloric Effect in Discrete MnII Dimers The Journal of Physical Chemistry C, 2017, 121, 22727
1547639	CIF	C17 H18 N2 O4 S	P 21 21 21	7.426; 11.292; 20.718 90; 90; 90	1737.3	Qian, Xue-Wei; Xue, Ze-Jian; Zhao, Qian; Cui, Zhe; Chen, Ya-Jing; Feng, Chen-Guo; Lin, Guo-Qiang Enantioselective Rhodium-Catalyzed Alkenylation of Aliphatic Imines. Organic letters, 2017, 19, 5601-5604
1547640	CIF	C22 H21 N O4	P -1	6.8929; 7.6318; 19.0999 100.04; 92.095; 110.687	920.31	Kim, Hyunseok; Kim, Sanghyuck; Kim, Jiyeon; Son, Jeong-Yu; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho One-Pot Synthesis of Indolizines via Sequential Rhodium-Catalyzed [2 + 1]-Cyclopropanation, Palladium-Catalyzed Ring Expansion, and Oxidation Reactions from Pyridotriazoles and 1,3-Dienes. Organic letters, 2017, 19, 5677-5680
1547641	CIF	C27 H23 N O2	P -1	9.125; 11.0174; 11.6902 102.952; 102.365; 105.581	1055.1	Kim, Hyunseok; Kim, Sanghyuck; Kim, Jiyeon; Son, Jeong-Yu; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho One-Pot Synthesis of Indolizines via Sequential Rhodium-Catalyzed [2 + 1]-Cyclopropanation, Palladium-Catalyzed Ring Expansion, and Oxidation Reactions from Pyridotriazoles and 1,3-Dienes. Organic letters, 2017, 19, 5677-5680
1547642	CIF	C20 H28 N2 O5 S	P 1 n 1	6.2851; 16.6804; 9.9664 90; 96.0995; 90	1038.94	Gaunt, Matthew J.; Hogg, Kirsten F.; Trowbridge, Aaron; Álvarez-Pérez, Andrea The α-Tertiary Amine Motif Drives Remarkable Selectivity for Pd-Catalyzed Carbonylation of β-methylene C–H bonds Chem. Sci., 2017
1547643	CIF	C18 H15 B3 O3	P 1 21/c 1	10.6824; 13.2062; 11.5423 90; 99.843; 90	1604.35	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
1547644	CIF	C9 H13 B O3	P 1 21/c 1	16.193; 24.868; 9.919 90; 94.666; 90	3981	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
1547645	CIF	C6 H7 B O2	I b a 2	15.322; 17.902; 9.8089 90; 90; 90	2690.5	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
1547646	CIF	C7 H9 B O3	P 1 21/n 1	11.2586; 5.0616; 13.8819 90; 111.069; 90	738.2	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
1547647	CIF	C10 H15 B O3	P -1	5.0709; 7.6864; 13.7993 87.907; 85.499; 74.195	515.86	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
1547648	CIF	C8 H11 B O3	I 1 2/a 1	19.815; 5.02009; 18.2337 90; 111.493; 90	1687.64	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
1547649	CIF	C18 H12 B3 F3 O3	P 1 21/m 1	3.8105; 20.8028; 10.3896 90; 96.843; 90	817.71	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
1547650	CIF	C12 H19 B O3	P -1	5.0668; 10.184; 13.252 72.888; 84.617; 75.928	633.7	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
1547651	CIF	C6 H6 B I O2	P b c n	19.531; 18.4544; 9.7999 90; 90; 90	3532.2	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
1547652	CIF	C6 H7 B O3	P 1 21/c 1	14.3451; 5.0353; 17.3021 90; 90.473; 90	1249.72	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
1547653	CIF	C4 H14 Bi Br5 N2	P n a 21	18.297; 10.234; 7.8231 90; 90; 90	1464.9	Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039
1547654	CIF	C4 H14 Bi Br3.1 Cl1.9 N2	P n a 21	18.16; 10.074; 7.6542 90; 90; 90	1400.3	Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039
1547655	CIF	C4 H14 Bi Br1.8 Cl3.2 N2	P n a 21	18.109; 9.998; 7.5855 90; 90; 90	1373.4	Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039
1547656	CIF	C4 H14 Bi Br1.4 Cl3.6 N2	P n a 21	18.12; 9.95; 7.5357 90; 90; 90	1358.6	Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039
1547657	CIF	C4 H14 Bi Br1.1 Cl3.9 N2	P n a 21	18.209; 9.975; 7.5491 90; 90; 90	1371.2	Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039
1547658	CIF	C4 H14 Bi Br5 N2	P n m a	17.899; 7.93; 10.381 90; 90; 90	1473	Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039
1547659	CIF	C4 H14 Bi Br3.1 Cl1.9 N2	P n m a	17.697; 7.639; 10.071 90; 90; 90	1361.5	Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039
1547660	CIF	C4 H14 Bi Br1.8 Cl3.2 N2	P n m a	17.891; 7.722; 10.203 90; 90; 90	1410	Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039
1547661	CIF	C4 H14 Bi Br1.4 Cl3.6 N2	P n m a	17.693; 7.6587; 10.1094 90; 90; 90	1369.9	Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039
1547662	CIF	C4 H14 Bi Br1.1 Cl3.9 N2	P n m a	17.755; 7.681; 10.12 90; 90; 90	1380.1	Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039
1547663	CIF	C23 H31 Br N3 P	P -1	9.1345; 14.6643; 18.0325 92.023; 96.2988; 105.032	2313.62	Tien, Chieh-Hung; Adams, Matt R.; Ferguson, Michael J.; Johnson, Erin R.; Speed, Alexander W. H. Hydroboration Catalyzed by 1,2,4,3-Triazaphospholenes. Organic letters, 2017, 19, 5565-5568
1547664	CIF	C29 H48 O3	P 21 21 2	13.7185; 20.7124; 20.7597 90; 90; 90	5898.72	Wang, Chao; Huo, Xiao-Kui; Luan, Zhi-Lin; Cao, Fei; Tian, Xiang-Ge; Zhao, Xin-Yu; Sun, Cheng-Peng; Feng, Lei; Ning, Jing; Zhang, Bao-Jing; Ma, Xiao-Chi Alismanin A, a Triterpenoid with a C34 Skeleton from Alisma orientale as a Natural Agonist of Human Pregnane X Receptor. Organic letters, 2017, 19, 5645-5648
1547665	CIF	C150 H138 N14 O6	P -1	17.226; 22.283; 24.02 117.27; 92.88; 96.46	8089	Hwang, Ji Young; Jeon, Hae-Geun; Choi, Ye Rin; Kim, Junyoung; Kang, Philjae; Lee, Seungwon; Jeong, Kyu-Sung Aromatic Hybrid Foldamer with a Hydrophilic Helical Cavity Capable of Encapsulating Glucose. Organic letters, 2017, 19, 5625-5628
1547666	CIF	C18 H22 N16 O2	P 1 21/c 1	16.625; 13.626; 10.32 90; 92.77; 90	2335.1	Kim, Illan; Ko, Kyoung Chul; Lee, Woo Ram; Cho, Jihee; Moon, Jong Hun; Moon, Dohyun; Sharma, Amit; Lee, Jin Yong; Kim, Jong Seung; Kim, Sanghee Calix[n]triazoles and Related Conformational Studies. Organic letters, 2017, 19, 5509-5512
1547667	CIF	C12 H12 N12	P 1 21/c 1	8.7126; 5.5052; 14.9132 90; 101.476; 90	701.01	Kim, Illan; Ko, Kyoung Chul; Lee, Woo Ram; Cho, Jihee; Moon, Jong Hun; Moon, Dohyun; Sharma, Amit; Lee, Jin Yong; Kim, Jong Seung; Kim, Sanghee Calix[n]triazoles and Related Conformational Studies. Organic letters, 2017, 19, 5509-5512
1547668	CIF	C18 H22 O2	P 21 21 2	16.2248; 21.607; 8.7927 90; 90; 90	3082.5	Kang, Houng; Lee, Young Eun; Reddy, Peddiahgari Vasu Govardhana; Dey, Sangeeta; Allen, Scott E.; Niederer, Kyle A.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Herling, Madison R.; Kozlowski, Marisa C. Asymmetric Oxidative Coupling of Phenols and Hydroxycarbazoles. Organic letters, 2017, 19, 5505-5508
1547669	CIF	C22 H43.73 B1.77 Cl4 F7.08 Fe2 N8 Ni2 O4.36 S4	P -1	11.6249; 14.1066; 14.2931 99.86; 104.52; 105.715	2111.1	Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y. A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts Chem. Sci., 2017
1547670	CIF	C20 H40 B F4 Fe N6 Ni2 O2 S4	P -1	8.5324; 13.8268; 13.8581 88.197; 72.322; 80.263	1534.9	Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y. A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts Chem. Sci., 2017
1547671	CIF	C10.5 H21 Cl Fe N4 Ni O2 S2	C 1 2/c 1	12.318; 11.116; 24.241 90; 90.062; 90	3319	Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y. A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts Chem. Sci., 2017
1547672	CIF	C17 H13 Br O3	P 21 21 21	10.4889; 15.637; 17.361 90; 90; 90	2847.5	Paz, Bruno Matos; Li, Yang; Thøgersen, Mathias Kirk; Jørgensen, Karl Anker Enantioselective synthesis of cyclopenta[b]benzofurans via an organocatalytic intramolecular double cyclization Chem. Sci., 2017
1547673	CIF	C18 H14 N3 O0.5 S	P -1	8.2595; 10.2305; 10.237 98.393; 113.578; 95.939	771.71	Ramanathan, Mani; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung Synthesis of Substituted Quinazolin-4(3H)-imines From Aryldiazonium Salts, Nitriles and 2-Cyanoanilines via A Metal-Free Tandem Approach. Organic letters, 2017, 19, 5840-5843
1547674	CIF	C26 H16 Cl O2 P	P -1	8.2205; 11.1612; 11.4544 106.106; 97.928; 93.594	994.4	Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit. Organic letters, 2017, 19, 5814-5817
1547675	CIF	C33 H25 O P	P -1	12.3745; 13.9516; 15.5108 90.361; 108.098; 97.969	2517.32	Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit. Organic letters, 2017, 19, 5814-5817
1547676	CIF	C26 H21 Cl2 O P	P -1	9.6822; 10.6345; 11.7489 97.498; 106.46; 93.254	1144.63	Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit. Organic letters, 2017, 19, 5814-5817
1547677	CIF	C26 H18 Cl O P	P 1 21/n 1	9.4124; 14.7338; 14.2292 90; 90.71; 90	1973.16	Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit. Organic letters, 2017, 19, 5814-5817
1547678	CIF	C16 H15 N O3	P b c a	11.8722; 8.4475; 26.7964 90; 90; 90	2687.42	Chen, Rongxiang; Zhao, Yanwei; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Wan, Xiaobing Coupling Reaction of Cu-Based Carbene and Nitroso Radical: A Tandem Reaction To Construct Isoxazolines. Organic letters, 2017, 19, 5896-5899
1547679	CIF	C31 H35 N O6	P 1 21/c 1	14.8729; 11.2262; 16.491 90; 92.964; 90	2749.76	Shen, Kun; Wang, Qiu Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents Chem. Sci., 2017
1547680	CIF	C22 H23 N O2	P -1	9.3352; 10.2282; 11.6109 70.977; 69.277; 63.872	911.65	Shen, Kun; Wang, Qiu Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents Chem. Sci., 2017
1547681	CIF	C29 H31 N2 O5	P -1	10.3428; 16.0861; 17.3663 65.705; 73.172; 89.52	2500.3	Shen, Kun; Wang, Qiu Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents Chem. Sci., 2017
1547682	CIF	C31 H27 Cl3 N4 S2 Se2	P 1 21/c 1	17.9134; 11.5319; 18.2586 90; 117.23; 90	3353.78	Benz, Sebastian; Mareda, Jiri; Besnard, Céline; Sakai, Naomi; Matile, Stefan Catalysis with chalcogen bonds: neutral benzodiselenazole scaffolds with high-precision selenium donors of variable strength Chem. Sci., 2017
1547683	CIF	C18 H36 Br7 N12 Pb2	P 63/m	24.5149; 24.5149; 9.7646 90; 90; 120	5082.1	Lin, Haoran; Zhou, Chenkun; Tian, Yu; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Zhou, Yan; Bullock, James; Schanze, Kirk; Ming, Wenmei; Du, Mao Hua; Ma, Biwu Bulk Assembly of Organic Metal Halide Nanotubes Chem. Sci., 2017
1547684	CIF	C18 H31.5 O1.12	P 31	23.112; 23.112; 7.0532 90; 90; 120	3262.8	Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids Chem. Sci., 2017
1547685	CIF	C30 H53 O2.5	P 1 21 1	6.52639; 61.44; 7.08782 90; 113.23; 90	2611.67	Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids Chem. Sci., 2017
1547686	CIF	C37 H55 Br O3	P 1 21 1	16.9259; 8.7979; 23.0465 90; 107.552; 90	3272.1	Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids Chem. Sci., 2017
1547687	CIF	C30 H50 O3	P 42	18.4576; 18.4576; 7.4585 90; 90; 90	2540.98	Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids Chem. Sci., 2017
1547688	CIF	C25 H16 F6 O13 P4 Zr2.69	P b c a	23.9163; 13.5859; 26.106 90; 90; 90	8482.5	Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications, 2017, 8, 15369
1547689	CIF	C25 H16 F8 O12 P4 Zr3	I 4/m	33.081; 33.081; 15.832 90; 90; 90	17326	Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications, 2017, 8, 15369
1547690	CIF	C68 H48 F18 O24 P8 Zr7	P 1 21/n 1	16.9609; 26.425; 16.9629 90; 117.718; 90	6730.2	Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications, 2017, 8, 15369
1547691	CIF	C41 O14 P4	I 41/a	24.905; 24.905; 7.5896 90; 90; 90	4707.5	Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications, 2017, 8, 15369
1547692	CIF	C25 H24 O12 P4	I -4	13.2646; 13.2646; 7.5238 90; 90; 90	1323.81	Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications, 2017, 8, 15369
1547693	CIF	C212 H181 N8 O34 Pd2 S16	P 1 21/n 1	21.7593; 33.6872; 28.3246 90; 92.856; 90	20736.4	Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix Nature Communications, 2017, 8, 749
1547694	CIF	C212 H184 N12 O46 Pd2 S12	P -1	21.297; 21.48; 27.276 70.017; 69.062; 61.468	10013.5	Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix Nature Communications, 2017, 8, 749
1547695	CIF	C12 H13 I N2 O3	P -1	8.5985; 8.9813; 10.1508 113.998; 91.78; 111.582	650.7	Ziegler, Dorothée S; Greiner, Robert; Lumpe, Henning; Kqiku, Laura; Karaghiosoff, Konstantin; Knochel, Paul Directed Zincation or Magnesiation of the 2-Pyridone and 2,7-Naphthyridone Scaffold Using TMP Bases. Organic letters, 2017, 19, 5760-5763
1547696	CIF	C18 H13 I N2 O4	P 21 21 21	7.854; 11.693; 18.074 90; 90; 90	1659.9	Toda, Yasunori; Gomyou, Shuto; Tanaka, Shoya; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki Tetraarylphosphonium Salt-Catalyzed Synthesis of Oxazolidinones from Isocyanates and Epoxides. Organic letters, 2017, 19, 5786-5789
1547697	CIF	C26 H37 Br O5 Si	P -1	7.79; 9.6934; 18.868 84.627; 84.464; 67.565	1308.27	Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka Total Synthesis of Paralemnolide A. Organic letters, 2017, 19, 5996-5999
1547698	CIF	C21 H25 Br O4	P 1 21/n 1	9.9141; 18.7872; 10.6013 90; 91.608; 90	1973.8	Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka Total Synthesis of Paralemnolide A. Organic letters, 2017, 19, 5996-5999
1547699	CIF	C20 H35 Br O3 Si	P -1	7.5249; 10.273; 15.343 104.399; 103.098; 95.903	1102.87	Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka Total Synthesis of Paralemnolide A. Organic letters, 2017, 19, 5996-5999
1547700	CIF	C17 H20 F2 O2	P c a 21	9.8218; 12.5329; 12.4155 90; 90; 90	1528.3	Sha, Wanxing; Ni, Shengyang; Han, Jianlin; Pan, Yi Access to Alkyl-Substituted Lactone via Photoredox-Catalyzed Alkylation/Lactonization of Unsaturated Carboxylic Acids. Organic letters, 2017, 19, 5900-5903
1547701	CIF	C21 H28 Br N O7	P 1	5.8465; 9.7587; 9.8846 89.343; 87.738; 86.3034	562.324	Horwitz, Matthew A.; Fulton, Jennifer L.; Johnson, Jeffrey S. Enantio- and Diastereoselective Organocatalytic Conjugate Additions of Nitroalkanes to Enone Diesters. Organic letters, 2017, 19, 5783-5785
1547702	CIF	C17 H22 O5	P 21 21 21	9.7097; 12.1431; 12.8881 90; 90; 90	1519.58	Chen, Keliang; Zhang, Xuwen; Sun, Weiguang; Liu, Junjun; Yang, Jing; Chen, Chunmei; Liu, Xiulan; Gao, Limin; Wang, Jianping; Li, Hua; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui Manginoids A-G: Seven Monoterpene-Shikimate-Conjugated Meroterpenoids with a Spiro Ring System from Guignardia mangiferae. Organic letters, 2017, 19, 5956-5959
1547703	CIF	C24 H25 Cl3 Ir N4	P n a 21	21.597; 7.285; 16.615 90; 90; 90	2614.1	Liang, Ran; Li, Shun; Wang, Rongzhou; Lu, Lei; Li, Feng N-Methylation of Amines with Methanol Catalyzed by a Cp*Ir Complex Bearing a Functional 2,2'-Bibenzimidazole Ligand. Organic letters, 2017, 19, 5790-5793
1547704	CIF	C27 H20 O7 S	P 21 21 21	10.2354; 14.6975; 16.2321 90; 90; 90	2441.9	Doyle, Lisa M.; O'Sullivan, Shane; Di Salvo, Claudia; McKinney, Michelle; McArdle, Patrick; Murphy, Paul V. Stereoselective Epimerizations of Glycosyl Thiols. Organic letters, 2017, 19, 5802-5805
1547705	CIF	C39 H23 Cl8 Dy N5 Na O5	P 1 21/c 1	9.9819; 19.8256; 20.6783 90; 91.212; 90	4091.26	Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes. Chemical science, 2018, 9, 199-208
1547706	CIF	C84 H58 Cl16 Dy2 K N11 O8	P -1	15.8989; 16.0286; 19.542 98.384; 91.201; 118.115	4322.5	Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes. Chemical science, 2018, 9, 199-208
1547707	CIF	C44 H36 Cl8 Dy N5 O4	C 1 2/c 1	36.1061; 11.5705; 22.7831 90; 109.429; 90	8976	Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes. Chemical science, 2018, 9, 199-208
1547708	CIF	C7 H14 I N O4	P m n 21	9.099; 6.059; 9.24 90; 90; 90	509.4	Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions Nature Communications, 2017, 8, 14934
1547709	CIF	C7 H14 I N O4	P m -3 m	6.437; 6.437; 6.437 90; 90; 90	266.7	Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions Nature Communications, 2017, 8, 14934
1547710	CIF	C18 H24 O4	P 1 21 1	8.872; 11.0082; 9.1544 90; 108.429; 90	848.21	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
1547711	CIF	C16 H22 O3	P 21 21 21	7.0558; 11.7298; 17.7125 90; 90; 90	1465.94	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
1547712	CIF	C11 H18 O4	P -1	7.0078; 7.1563; 11.9748 106.043; 97.618; 99.673	558.69	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
1547713	CIF	C10 H16 O4	P -1	7.6701; 8.0763; 9.5222 111.724; 96.807; 98.512	532.2	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
1547714	CIF	C16 H20 O4	P 1 21/n 1	8.005; 11.0252; 16.3524 90; 97.02; 90	1432.39	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
1547715	CIF	C10 H16 O4	P 1 21/c 1	6.1819; 19.6642; 8.718 90; 104.247; 90	1027.18	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
1547716	CIF	C15 H18 O4	P 21 21 21	8.574; 8.8; 17.704 90; 90; 90	1335.79	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
1547717	CIF	C24 H38 O2 Si	P -1	7.4396; 11.7668; 14.4083 67.38; 84.506; 83.796	1155.44	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
1547718	CIF	C120 H125 N17 O31 Zn4	C 1 2 1	25.016; 9.6759; 27.415 90; 116.342; 90	5946.8	Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization Nature Communications, 2017, 8, 361
1547719	CIF	C120 H125 N17 O31 Zn4	C 1 2 1	25.0155; 9.6927; 27.3884 90; 116.251; 90	5955.9	Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization Nature Communications, 2017, 8, 361
1547720	CIF	C115 H115 N13 O29 Zn4	C 1 2/c 1	25.9658; 9.0558; 27.369 90; 117.686; 90	5698.7	Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization Nature Communications, 2017, 8, 361
1547721	CIF	C125 H134 N16 O33 Zn4	C 1 2 1	24.9168; 9.6298; 27.373 90; 116.294; 90	5888.4	Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization Nature Communications, 2017, 8, 361
1547722	CIF	C128 H140 N16 O32 Zn4	C 1 2 1	24.9012; 9.6416; 27.3223 90; 116.379; 90	5876.7	Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization Nature Communications, 2017, 8, 361
1547723	CIF	C30 H18	C 1 2/c 1	38.0759; 12.6702; 7.9552 90; 101.488; 90	3760.9	Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface Nature Communications, 2017, 8, 16089
1547724	CIF	C30 H18	C 1 2/c 1	37.63; 6.3613; 16.724 90; 111.123; 90	3734	Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface Nature Communications, 2017, 8, 16089
1547725	CIF	C27.6 H43 O6.9	P 1 21 1	15.446; 5.9493; 15.55 90; 103.722; 90	1388.1	Leman-Loubière, Charlotte; Le Goff, Géraldine; Retailleau, Pascal; Debitus, Cécile; Ouazzani, Jamal Sporothriolide-Related Compounds from the Fungus Hypoxylon monticulosum CLL-205 Isolated from a Sphaerocladina Sponge from the Tahiti Coast. Journal of natural products, 2017, 80, 2850-2854
1547726	CIF	C18 H24 N O4	P -1	10.0478; 10.1851; 10.8815 95.641; 114.147; 108.576	929	Edwards, Peter M.; Schafer, Laurel L. In Situ Generation of a Regio- and Diastereoselective Hydroaminoalkylation Catalyst Using Commercially Available Starting Materials. Organic letters, 2017, 19, 5720-5723
1547727	CIF	C15 H24 Cl N O	P n a 21	21.142; 9.442; 14.826 90; 90; 90	2959.6	Edwards, Peter M.; Schafer, Laurel L. In Situ Generation of a Regio- and Diastereoselective Hydroaminoalkylation Catalyst Using Commercially Available Starting Materials. Organic letters, 2017, 19, 5720-5723
1547728	CIF	C28 H21 N3 O3	P -1	8.3542; 11.7504; 11.9494 102.671; 106.404; 97.121	1076	Manoharan, Ramasamy; Jeganmohan, Masilamani Cobalt-Catalyzed Oxidative Cyclization of Benzamides with Maleimides: Synthesis of Isoindolone Spirosuccinimides. Organic letters, 2017, 19, 5884-5887
1547729	CIF	C18 H18 N3 O4 P	P 1 21 1	9.49772; 7.06251; 13.2196 90; 104.074; 90	860.13	Huang, Nan; Zou, Liangliang; Peng, Yungui Enantioselective 1,3-Dipolar Cycloaddition of Methyleneindolinones with α-Diazomethylphosphonate to Access Chiral Spiro-phosphonylpyrazoline-oxindoles Catalyzed by Tertiary Amine Thiourea and 1,5-Diazabicyclo[4.3.0]non-5-ene. Organic letters, 2017, 19, 5806-5809
1547730	CIF	C27 H24 S6	P 3	39.0759; 39.0759; 7.99482 90; 90; 120	10572	Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials Chem. Sci., 2017
1547731	CIF	C117 H24 S6	P -1	13.7708; 16.9234; 17.1467 98.334; 113.332; 112.891	3162.1	Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials Chem. Sci., 2017
1547732	CIF	C23 H21 N O3 S	P -1	9.0699; 13.9562; 17.516 88.185; 78.4; 72.259	2067.6	Nagamoto, Midori; Fukuda, Jun-Ichi; Hatano, Miyuki; Yorimitsu, Hideki; Nishimura, Takahiro Hydroxoiridium-Catalyzed Hydroarylation of Alkynes and Bicycloalkenes with N-Sulfonylbenzamides. Organic letters, 2017, 19, 5952-5955
1547733	CIF	C18 H14 O2	P -1	7.7485; 8.638; 11.316 78.953; 72.382; 65.252	653.7	Fan, Jinming; Wang, Tao; Li, Chenchen; Wang, Rui; Lei, Xiaoyu; Liang, Yong; Zhang, Zunting Synthesis of Benzoaryl-5-yl(2-hydroxyphenyl)methanones via Photoinduced Rearrangement of (E)-3-Arylvinyl-4H-chromen-4-ones. Organic letters, 2017, 19, 5984-5987
1547734	CIF	C24 H30 N4 O2	I -4	17.5556; 17.5556; 14.122 90; 90; 90	4352.4	Zhang, Shang-Shi; Xia, Jie; Wu, Jia-Qiang; Liu, Xu-Ge; Zhou, Chu-Jun; Lin, E.; Li, Qingjiang; Huang, Shi-Liang; Wang, Honggen Three-Component Catalytic Carboxygenation of Activated Alkenes Enabled by Bimetallic Rh(III)/Cu(II) Catalysis. Organic letters, 2017, 19, 5868-5871
1547735	CIF	C21 H27 N O4	P 1 21/c 1	9.9109; 17.7633; 10.9397 90; 100.598; 90	1893.1	Wang, Chengfeng; Lu, Zhan Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer. Organic letters, 2017, 19, 5888-5891
1547736	CIF	C31 H37 N O4	P 1 21 1	7.459; 15.314; 11.5062 90; 91.057; 90	1314.1	Wang, Chengfeng; Lu, Zhan Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer. Organic letters, 2017, 19, 5888-5891
1547737	CIF	C27 H31 N O4	C 1 c 1	12.1961; 9.8018; 19.978 90; 97.063; 90	2370.1	Wang, Chengfeng; Lu, Zhan Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer. Organic letters, 2017, 19, 5888-5891
1547738	CIF	C21 H27 N O4	P 1 21/n 1	8.5401; 11.6431; 19.9467 90; 98.271; 90	1962.7	Wang, Chengfeng; Lu, Zhan Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer. Organic letters, 2017, 19, 5888-5891
1547739	CIF	C17 H14 O5	P 21 21 21	8.3616; 8.7783; 19.3853 90; 90; 90	1422.89	Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium. Organic letters, 2017, 19, 5856-5859
1547740	CIF	C18 H13 F O2	P 1 21/c 1	16.1365; 7.3743; 11.6885 90; 103.14; 90	1354.46	Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium. Organic letters, 2017, 19, 5856-5859
1547741	CIF	C22 H18 O6	P -1	8.6474; 9.0011; 11.6253 92.573; 94.393; 91.114	901.06	Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium. Organic letters, 2017, 19, 5856-5859
1547742	CIF	C25 H23 N O2 S	P 1 21/c 1	14.4968; 10.5034; 15.0275 90; 111.709; 90	2125.9	Wen, Jian; Cheng, Hanchao; Raabe, Gerhard; Bolm, Carsten Rhodium-Catalyzed [4 + 3] Annulations of Sulfoximines with α,β-Unsaturated Ketones Leading to 1,2-Benzothiazepine 1-Oxides. Organic letters, 2017, 19, 6020-6023
1547743	CIF	C30 H18 N4 Ni	P 1 21/c 1	13.642; 11.1624; 21.3653 90; 95.271; 90	3239.7	Ryo Nozawa; Hiroko Tanaka; Won-Young Cha; Yongseok Hong; Ichiro Hisaki; Soji Shimizu; Ji-Young Shin; Tim Kowalczyk; Stephan Irle; Dongho Kim; Hiroshi Shinokubo Stacked antiaromatic porphyrins Nature Communications, 2016, 7, 13620
1547744	CIF	C66 H42 Cl6 N8 Ni2 S2	C 1 2/c 1	24.768; 13.8476; 33.0065 90; 99.5763; 90	11162.7	Ryo Nozawa; Hiroko Tanaka; Won-Young Cha; Yongseok Hong; Ichiro Hisaki; Soji Shimizu; Ji-Young Shin; Tim Kowalczyk; Stephan Irle; Dongho Kim; Hiroshi Shinokubo Stacked antiaromatic porphyrins Nature Communications, 2016, 7, 13620
1547745	CIF	C43 H54 F6 Fe N O8 P	P -1	10.3437; 11.1763; 19.446 87.24; 79.489; 88.855	2207.6	Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie Rapid and reversible photoinduced switching of a rotaxane crystal Nature Communications, 2016, 7, 13321
1547746	CIF	C43 H54 F6 Fe N O8 P	P -1	10.343; 11.1816; 19.4313 87.281; 79.707; 88.818	2208.4	Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie Rapid and reversible photoinduced switching of a rotaxane crystal Nature Communications, 2016, 7, 13321
1547747	CIF	C43 H54 F6 Fe N O8 P	P -1	10.3504; 11.1958; 19.4394 87.289; 79.822; 88.798	2214.5	Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie Rapid and reversible photoinduced switching of a rotaxane crystal Nature Communications, 2016, 7, 13321
1547748	CIF	C43 H54 F6 Fe N O8 P	P -1	10.3258; 11.1596; 19.3998 87.2796; 79.5728; 88.8537	2195.93	Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie Rapid and reversible photoinduced switching of a rotaxane crystal Nature Communications, 2016, 7, 13321
1547749	CIF	C43 H54 F6 Fe N O8 P	P -1	10.3579; 11.21; 19.4479 87.293; 79.94; 88.772	2220.7	Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie Rapid and reversible photoinduced switching of a rotaxane crystal Nature Communications, 2016, 7, 13321
1547750	CIF	C43 H54 F6 Fe N O8 P	P -1	10.3393; 11.1764; 19.3966 87.3043; 79.8391; 88.8264	2203.63	Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie Rapid and reversible photoinduced switching of a rotaxane crystal Nature Communications, 2016, 7, 13321
1547751	CIF	C43 H54 F6 Fe N O8 P	P -1	10.3662; 11.2263; 19.458 87.294; 80.055; 88.745	2227.7	Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie Rapid and reversible photoinduced switching of a rotaxane crystal Nature Communications, 2016, 7, 13321
1547752	CIF	C43 H54 F6 Fe N O8 P	P -1	10.3758; 11.2462; 19.467 87.299; 80.198; 88.715	2235.7	Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie Rapid and reversible photoinduced switching of a rotaxane crystal Nature Communications, 2016, 7, 13321
1547753	CIF	C43 H54 F6 Fe N O8 P	P -1	10.3528; 11.195; 19.3916 87.3094; 80.1334; 88.7511	2211.58	Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie Rapid and reversible photoinduced switching of a rotaxane crystal Nature Communications, 2016, 7, 13321
1547754	CIF	C43 H54 F6 Fe N O8 P	P -1	10.3815; 11.262; 19.473 87.298; 80.314; 88.684	2241.5	Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie Rapid and reversible photoinduced switching of a rotaxane crystal Nature Communications, 2016, 7, 13321