Search results

Result: there are 526796 entries in the selection

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

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

Displaying all data in COD

First | Previous 1000 | of 527 | Next 1000 | Last | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1545255	CIF	C30 H30 B2 F8 Fe N24	P 63/m	10.4852; 10.4852; 23.308 90; 90; 120	2219.2	Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci., 2017, 8, 3109
1545256	CIF	C30 H30 B2 F8 Fe N24	P 63/m	10.369; 10.369; 22.9628 90; 90; 120	2138.1	Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci., 2017, 8, 3109
1545257	CIF	C31.12 H30 Cl2 Fe N24 O10.24	P 63/m	10.55931; 10.55931; 23.6672 90; 90; 120	2285.33	Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci., 2017, 8, 3109
1545258	CIF	C31.63 H33.26 Cl2 Fe N24 O8	P 63/m	10.52034; 10.52034; 23.5917 90; 90; 120	2261.25	Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci., 2017, 8, 3109
1545259	CIF	C30.78 H33.12 Cl2 Fe N24 O8	P 63/m	10.5426; 10.5426; 23.6588 90; 90; 120	2277.29	Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci., 2017, 8, 3109
1545260	CIF	C31.044 H30 B2 F8 Fe N24 O2.088	P 63/m	10.57127; 10.57127; 23.4813 90; 90; 120	2272.52	Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci., 2017, 8, 3109
1545261	CIF	C31.8 H33.6 B2 F8 Fe N24	P 63/m	10.57281; 10.57281; 23.49996 90; 90; 120	2274.99	Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci., 2017, 8, 3109
1545262	CIF	C30.84 H33.36 B2 F8 Fe N24	P 63/m	10.5681; 10.5681; 23.4989 90; 90; 120	2272.86	Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci., 2017, 8, 3109
1545263	CIF	C24 H26 Cl2 Co N4 O9	P 1 21/c 1	18.258; 11.064; 14.334 90; 101.816; 90	2834.2	Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J. Reversible solvatomagnetic switching in a single-ion magnet from an entatic state Chem. Sci., 2017, 8, 3694
1545264	CIF	C24 H24 Cl2 Co N4 O8	P 1 21/c 1	18.0546; 11.9616; 13.4228 90; 105.413; 90	2794.6	Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J. Reversible solvatomagnetic switching in a single-ion magnet from an entatic state Chem. Sci., 2017, 8, 3694
1545265	CIF	C38 H55 Cl Pb Ru Si2	P 1 21/n 1	9.728; 18.602; 21.538 90; 95.419; 90	3880.1	Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element Chem. Sci., 2017, 8, 3092
1545266	CIF	C44 H69 I Pb Ru Si2	P b c a	10.393; 22.3163; 39.5129 90; 90; 90	9164.4	Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element Chem. Sci., 2017, 8, 3092
1545267	CIF	C40.55 H59.95 Cl0.15 Pb Ru Si2	P 1 21/c 1	16.7796; 11.2019; 21.597 90; 98.91; 90	4010.5	Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element Chem. Sci., 2017, 8, 3092
1545268	CIF	C54 H87 Li O4 Pb Ru Si2	P -1	12.7785; 14.3628; 15.1226 97.836; 96.992; 93.261	2721.5	Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element Chem. Sci., 2017, 8, 3092
1545269	CIF	C12 H5 Cu2 N9	I 41 2 2	9.281; 9.281; 22.07 90; 90; 90	1901	Zhao, Nian; Li, Ping; Mu, Xin; Liu, Chuanfang; Sun, Fuxing; Zhu, Guangshan Facile synthesis of an ultra-stable metal-organic framework with excellent acid and base resistance Faraday Discuss., 2017
1545270	CIF	C18 H22 N2 O7 S	P 1 21 1	6.4419; 14.7348; 10.7176 90; 106.31; 90	976.38	Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation Polym. Chem., 2017, 8, 1714
1545271	CIF	C12 H14 N2 O6	P 1 21 1	7.0627; 9.6573; 10.032 90; 110.448; 90	641.13	Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation Polym. Chem., 2017, 8, 1714
1545272	CIF	C11 H23 Br4 Fe N2	P b c a	15.3952; 13.019; 38.748 90; 90; 90	7766.3	Lu, Bing; Zhu, Fan; Sun, Hong-Mei; Shen, Qi Esterification of the Primary Benzylic C-H Bonds with Carboxylic Acids Catalyzed by Ionic Iron(III) Complexes Containing an Imidazolinium Cation. Organic letters, 2017, 19, 1132-1135
1545273	CIF	C26 H30 N6 O2	P 1 21/c 1	15.8245; 8.2945; 19.2897 90; 106.414; 90	2428.71	Peng, Lu; Xu, Shidang; Zheng, Xiaokun; Cheng, Xiamin; Zhang, Ruoyu; Liu, Jie; Liu, Bin; Tong, Aijun Rational Design of a Red-Emissive Fluorophore with AIE and ESIPT Characteristics and Its Application in Light-Up Sensing of Esterase. Analytical chemistry, 2017, 89, 3162-3168
1545274	CIF	C13 H13 N5 O	P 1 21/n 1	8.2282; 6.994; 22.3201 90; 91.01; 90	1284.28	Peng, Lu; Xu, Shidang; Zheng, Xiaokun; Cheng, Xiamin; Zhang, Ruoyu; Liu, Jie; Liu, Bin; Tong, Aijun Rational Design of a Red-Emissive Fluorophore with AIE and ESIPT Characteristics and Its Application in Light-Up Sensing of Esterase. Analytical chemistry, 2017, 89, 3162-3168
1545275	CIF	C42 H61 Br O9	P 21 21 21	10.274; 26.322; 30.561 90; 90; 90	8265	Zheng, Dan; Han, Li; Qu, Xiaodan; Chen, Xiu; Zhong, Jialiang; Bi, Xiaoxu; Liu, Jiang; Jiang, Yi; Jiang, Chenglin; Huang, Xueshi Cytotoxic Fusicoccane-Type Diterpenoids from Streptomyces violascens Isolated from Ailuropoda melanoleuca Feces Journal of Natural Products, 2017
1545276	CIF	C22 H19 N O6 S2	P 1 21/c 1	8.5085; 10.5638; 23.179 90; 92.665; 90	2081.1	Xie, Jian; Wang, Yue-Wei; Qi, Lian-Wen; Zhang, Bo Access to Aminated Saturated Oxygen Heterocycles via Copper-Catalyzed Aminooxygenation of Alkenes. Organic letters, 2017, 19, 1148-1151
1545277	CIF	C18 H26 N2 O4	P 31	9.4759; 9.4759; 16.7019 90; 90; 120	1298.79	Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue. Organic letters, 2017, 19, 1152-1155
1545278	CIF	C19 H25 N3 O4	P 1 21 1	6.3152; 16.8108; 8.4777 90; 101.693; 90	881.35	Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue. Organic letters, 2017, 19, 1152-1155
1545279	CIF	C24 H29 N3	P -1	10.2983; 10.3586; 10.9392 89.722; 67.73; 85.303	1075.84	Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines. Organic letters, 2017, 19, 1172-1175
1545280	CIF	C28 H40 F4 N P2 Rh	C 1 2/c 1	22.851; 9.929; 16.292 90; 131.487; 90	2769	Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V. Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh Chem. Sci., 2017, 8, 3178
1545281	CIF	C27 H40 F2 N P2 Rh	P n a 21	16.693; 16.565; 9.888 90; 90; 90	2734.2	Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V. Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh Chem. Sci., 2017, 8, 3178
1545282	CIF	C28 H41 B11 Cl11 F N P2 Rh	P n a 21	20.427; 19.756; 11.606 90; 90; 90	4684	Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V. Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh Chem. Sci., 2017, 8, 3178
1545283	CIF	C15 H18 O11	C 1 2 1	28.835; 6.5931; 9.909 90; 105.373; 90	1816.4	Su, Lu; Khan, Sarosh; Fan, Jingwei; Lin, Yen-Nan; Wang, Hai; Gustafson, Tiffany P.; Zhang, Fuwu; Wooley, Karen L. Functional sugar-based polymers and nanostructures comprised of degradable poly(d-glucose carbonate)s Polym. Chem., 2017, 8, 1699
1545284	CIF	C48 H84 Co2 N8 O12 S4	P 1 21/c 1	10.7185; 21.9851; 12.7235 90; 92.196; 90	2996.1	N.N. Golovnev; M.S. Molokeev; A.I. Smolentsev; M.K. Lesnikov Structure of Tetrakis((1,3-Diethyl-2-Thiobarbiturato)(Butanol-1))dicobalt(II) Russian Journal of Coordination Chemistry, 2017, 43, 82-85
1545285	CIF	C25 H21 N O2	P 21 21 21	8.75219; 11.3668; 19.708 90; 90; 90	1960.64	Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles. Organic letters, 2017, 19, 1120-1123
1545286	CIF	C25 H20 Br N O2	P -1	8.803; 9.88; 13.538 73.731; 73.897; 69.965	1040.2	Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles. Organic letters, 2017, 19, 1120-1123
1545287	CIF	C56 H94 Cl4 Cu4 N10 O24	P -1	12.2247; 12.3904; 15.0274 106.67; 96.765; 118.889	1817.8	Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science, 2017, 8, 3031-3037
1545288	CIF	C40 H71 Cl2 Cu2 N5 O17	P 1 21/c 1	10.9869; 18.6852; 13.1285 90; 108.876; 90	2550.2	Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science, 2017, 8, 3031-3037
1545289	CIF	C36 H64 Cl2 Cu2 N4 O17	P 1 21/c 1	16.6993; 15.6606; 17.7512 90; 92.035; 90	4639.4	Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science, 2017, 8, 3031-3037
1545290	CIF	C34 H58 Cu2 N4 O8	P n n a	14.5909; 12.6902; 20.135 90; 90; 90	3728.23	Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science, 2017, 8, 3031-3037
1545291	CIF	C28 H46 Cu2 F6 N4 O12 S2	P 1 21/n 1	9.5488; 11.0676; 18.7942 90; 101.996; 90	1942.84	Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science, 2017, 8, 3031-3037
1545292	CIF	C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12	P -1	22.7887; 27.962; 33.377 69.6918; 88.7509; 84.346	19848	Li, Xiao-Yu; Wang, Zhi; Su, Hai-Feng; Feng, Sheng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun Anion-templated nanosized silver clusters protected by mixed thiolate and diphosphine. Nanoscale, 2017, 9, 3601-3608
1545293	CIF	C24 H15 Cl O3 S	P 1 21/c 1	12.409; 14.149; 12.409 90; 117.15; 90	1938.6	Dalal, Aarti; Khanna, Radhika; Kumar, Parvin; Kamboj, Ramesh Photo-reorganization of 3-alkoxy-6-chloro-2-(benzo[b]thiophen-2-yl)-4H-chromen-4-ones: A Green and Convenient Synthesis of angular pentacyclics Photochem. Photobiol. Sci., 2017
1545294	CIF	C25 H34 O7.833333	P 1 21 1	19.6602; 14.7796; 26.125 90; 91.529; 90	7588.4	Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus. Journal of natural products, 2017, 80, 1039-1047
1545295	CIF	C25 H36 O7	P 21 21 21	11.144; 16.201; 12.443 90; 90; 90	2247	Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus. Journal of natural products, 2017, 80, 1039-1047
1545296	CIF	C25 H31 Cl O6	P 21 21 21	15.2749; 15.1875; 10.1806 90; 90; 90	2361.8	Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus. Journal of natural products, 2017, 80, 1039-1047
1545297	CIF	C25 H30 O7	P 21 21 21	10.9888; 12.7811; 15.604 90; 90; 90	2191.57	Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus. Journal of natural products, 2017, 80, 1039-1047
1545298	CIF	C20 H17 Cl2 Co N4 O P	P 1 21/n 1	9.8667; 12.317; 17.626 90; 100.785; 90	2104.2	Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control Polym. Chem., 2017, 8, 1805
1545299	CIF	C23 H24 Cl2 Co N5 O2 P	P 1	7.881; 8.61; 10.582 101.612; 110.925; 103.559	619	Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control Polym. Chem., 2017, 8, 1805
1545300	CIF	C44 H42 Cl4 Co2 N8 P2 S2	P 1 21/n 1	9.465; 15.709; 16.2919 90; 106.147; 90	2326.8	Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control Polym. Chem., 2017, 8, 1805
1545301	CIF	C48 H52 Cl4 Co2 N8 O P2	P 21 21 21	15.231; 15.231; 20.271 90; 90; 90	4702.5	Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control Polym. Chem., 2017, 8, 1805
1545302	CIF	Au	P 63/m m c	2.9; 2.9; 4.88 90; 90; 120	35.542	Jany, B. R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K. H. W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F. Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface Scientific Reports, 2017, 7, 42420
1545303	CIF	C12 H16 O3	P 1 21/c 1	12.17; 11.066; 8.455 90; 109.476; 90	1073.5	Tao, Cheng; Zhang, Jing; Chen, Xiaoming; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin Formal Synthesis of (±)-Aplykurodinone-1 through a Hetero-Pauson-Khand Cycloaddition Approach. Organic letters, 2017, 19, 1056-1059
1545304	CIF	C20 H28 N0 O3	P 21 21 21	8.502; 25.02; 32.864 90; 90; 90	6991	Zhang, Min; Liu, Jimei; Chen, Ridao; Zhao, Jinlian; Xie, Kebo; Chen, Dawei; Feng, Keping; Dai, Jungui Two Furanharzianones with 4/7/5/6/5 Ring System from Microbial Transformation of Harzianone. Organic letters, 2017, 19, 1168-1171
1545305	CIF HKL Paper	C16 H8 Cl4 N2	P -1	9.2595; 9.9204; 10.1731 64.259; 72.322; 64.093	749.6	Weil, Matthias; Siebert, David Chan Bodin; Schnürch, Michael (<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride IUCrData, 2017, 2, x170274
1545306	CIF HKL Paper	C7 H10 I N	P 1 21/c 1	13.8301; 19.717; 10.2121 90; 109.642; 90	2622.7	Deschner, Joshua; Choczynski, Jack M.; Wong, Calvin Y.; Hayes, Kathleen L.; Crisci, Ralph R.; Lasher, Emily M.; Dragonette, Joseph; Cardenas, Allan Jay P. 1,4-Dimethylpyridinium iodide IUCrData, 2017, 2, x170269
1545307	CIF HKL Paper	C10 H15 N O5	P 21 21 21	5.514; 12.418; 15.372 90; 90; 90	1052.6	Gao, Min; Lu, Li-Ping 3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate IUCrData, 2017, 2, x170271
1545308	CIF HKL Paper	C10 H8 N6	P 1 21/c 1	3.8091; 10.2616; 11.9768 90; 96.165; 90	465.44	Du, Ran; Meng, Li; Lu, Li-Ping 1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene IUCrData, 2017, 2, x170272
1545309	CIF	C38 H42 N6 O4	C 1 2/c 1	22.1604; 15.5985; 11.4109 90; 120.944; 90	3383	Geng, Chang-An; Huang, Xiao-Yan; Ma, Yun-Bao; Hou, Bo; Li, Tian-Ze; Zhang, Xue-Mei; Chen, Ji-Jun (±)-Uncarilins A and B, Dimeric Isoechinulin-Type Alkaloids from Uncaria rhynchophylla Journal of Natural Products, 2017
1545310	CIF	C39 H44.5 N6.5 O4.5	P -1	10.7266; 15.3359; 22.6051 77.605; 80.472; 76.416	3504.26	Geng, Chang-An; Huang, Xiao-Yan; Ma, Yun-Bao; Hou, Bo; Li, Tian-Ze; Zhang, Xue-Mei; Chen, Ji-Jun (±)-Uncarilins A and B, Dimeric Isoechinulin-Type Alkaloids from Uncaria rhynchophylla Journal of Natural Products, 2017
1545311	CIF	C15 H12 O3	P 1 21/n 1	7.8452; 3.9073; 36.549 90; 93.5525; 90	1118.2	Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J. Synthesis of Fluorenones from Benzaldehydes and Aryl Iodides: Dual C-H Functionalizations Using a Transient Directing Group. Organic letters, 2017, 19, 1140-1143
1545312	CIF	C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6	P a -3	26.2758; 26.2758; 26.2758 90; 90; 90	18141.3	Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R. Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes Faraday Discuss., 2017
1545313	CIF	C24 H20 N2 O16 Zn3	P n m a	14.3929; 17.8516; 26.7111 90; 90; 90	6863.1	Liu, YuShuang; Luo, Yu Hui; Li, Li; Zhang, Hong An electron-transfer photochromic crystalline MOF accompanying photoswitchable luminescence in a host‒guest system Photochem. Photobiol. Sci., 2017
1545314	CIF	O9 P2 V Zn2	I 4 c m	8.9227; 8.9227; 9.039 90; 90; 90	719.6	Lii, K. H.; Tsai, H. J. Synthesis and crystal structure of Zn2VO(PO4)2, a vanadyl(IV) orthophosphate containing a dimer of edge-sharing ZnO5 square pyramids Journal of Solid State Chemistry, 1991, 90, 291-295
1545315	CIF	As3 H13 N3 O16 V3	P n m a	7.204; 13.741; 14.831 90; 90; 90	1468.1	Haushalter, Robert C.; Mayer, Linda; Dhingra, Sandeep, S.; Thompson, Mark E.; Wang, Zhanwen; Zubieta, Jon Hydrothermal synthesis and crystal and molecular structure of a three-dimensional vanado-arsonate (NH4)3[(VO)(V2O3)(AsO4)2(HAsO4)], exhibiting both {V-O-V}inf chains and isolated {V2O3} units Inorganica Chimica Acta, 1994, 218, 59-63
1545316	CIF	C14 H14 N2 O3 S2	P 1 2/c 1	13.0549; 6.8643; 15.8088 90; 97.519; 90	1404.5	Zhou, Min; Ma, Hang-Ying; Liu, Zhi-Hua; Yang, Guang-Yu; Du, Gang; Ye, Yan-Qing; Li, Gan-Peng; Hu, Qiu-Fen (+)-Meyeniins A-C, Novel Hexahydroimidazo[1,5-c]thiazole Derivatives from the Tubers of Lepidium meyenii: Complete Structural Elucidation by Biomimetic Synthesis and Racemic Crystallization. Journal of agricultural and food chemistry, 2017
1545317	CIF	C25 H38 O3	P 1 21 1	6.0388; 20.9417; 9.9049 90; 105.867; 90	1204.88	Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa. Journal of natural products, 2017, 80, 989-998
1545318	CIF	C30 H42 O3	P 21 21 21	6.1236; 20.4801; 21.9533 90; 90; 90	2753.21	Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa. Journal of natural products, 2017, 80, 989-998
1545319	CIF	C H5 Br3 N2 Pb	P m -3 m	5.96976; 5.96976; 5.96976 90; 90; 90	212.751	Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites. Nano letters, 2017, 17, 1727-1732
1545320	CIF	C H6 Br3 N Pb	P m -3 m	5.9195; 5.9195; 5.9195 90; 90; 90	207.422	Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites. Nano letters, 2017, 17, 1727-1732
1545321	CIF	C21 H22 O2	P 1 21/c 1	12.562; 7.6332; 19.11 90; 107.74; 90	1745.3	Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P. Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates. Organic letters, 2017, 19, 1306-1309
1545322	CIF	C21 H20 O3	P -1	7.4785; 10.0969; 11.6506 72.828; 89.259; 77.332	818.79	Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P. Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates. Organic letters, 2017, 19, 1306-1309
1545323	CIF	C18 H18 O5	P 1 21 1	7.9588; 5.6834; 17.1239 90; 90.062; 90	774.57	Li, Guo-Tai; Li, Zhi-Ke; Gu, Qing; You, Shu-Li Asymmetric Synthesis of 4-Aryl-3,4-dihydrocoumarins by N-Heterocyclic Carbene Catalyzed Annulation of Phenols with Enals. Organic letters, 2017, 19, 1318-1321
1545324	CIF	C15 H12 Cl N O2	P 1 21/c 1	8.71; 16.465; 9.372 90; 103.207; 90	1308.5	Yu, Yan-Min; Huang, Ya-Nan; Deng, Jun Catalytic Asymmetric Chlorocyclization of 2-Vinylphenylcarbamates for Synthesis of 1,4-Dihydro-2H-3,1-benzoxazin-2-one Derivatives. Organic letters, 2017, 19, 1224-1227
1545325	CIF	C40 H39 N3 O2	P 1 21 1	14.658; 7.843; 14.692 90; 109.942; 90	1587.8	Yu, Yan-Min; Huang, Ya-Nan; Deng, Jun Catalytic Asymmetric Chlorocyclization of 2-Vinylphenylcarbamates for Synthesis of 1,4-Dihydro-2H-3,1-benzoxazin-2-one Derivatives. Organic letters, 2017, 19, 1224-1227
1545326	CIF	C15 H20 Cl N2 O6 P	P 1 21 1	8.812; 9.83567; 11.24951 90; 108.818; 90	922.9	Du, Fei; Zhou, Jiao; Peng, Yungui Asymmetric Reaction of α-Diazomethylphosphonates with α-Ketoesters To Access Optically Active α-Diazo-β-hydroxyphosphonate Derivatives. Organic letters, 2017
1545327	CIF	C30.5 H30 N2 O4.5	P 21 21 21	8.7385; 8.77985; 65.4284 90; 90; 90	5019.84	Rees, Matthew; Simpkins, Nigel S.; Male, Louise An Asymmetric Organocatalysis Approach to the Prenylated Alkaloid Family. Organic letters, 2017, 19, 1338-1341
1545328	CIF	C25 H25 N O2	P 1 21/m 1	9.1592; 6.7731; 16.695 90; 100.414; 90	1018.6	Kaida, Hiroyuki; Goya, Tsuyoshi; Nishii, Yuji; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro Construction of Bisbenzofuro[2,3-b:3',2'-e]pyridines by Palladium-Catalyzed Double Intramolecular Oxidative C-H/C-H Coupling. Organic letters, 2017, 19, 1236-1239
1545329	CIF	C16 H13 Cl N2 O2	P 1 21/c 1	7.7605; 19.327; 9.6643 90; 101.584; 90	1420	Singh, Shailendra K.; Chandna, Nisha; Jain, Nidhi N-Mannich Bases of Aromatic Heterocyclic Amides: Synthesis via Copper-Catalyzed Aerobic Cross-Dehydrogenative Coupling under Ambient Conditions Organic Letters, 2017
1545330	CIF	C18 H15 Cl3 I N O2	C 1 2/c 1	17.0239; 9.347; 25.566 90; 105.901; 90	3912.5	Wu, Xiaowei; Wang, Bao; Zhou, Yu; Liu, Hong Propargyl Alcohols as One-Carbon Synthons: Redox-Neutral Rhodium(III)-Catalyzed C-H Bond Activation for the Synthesis of Isoindolinones Bearing a Quaternary Carbon. Organic letters, 2017, 19, 1294-1297
1545331	CIF	C28 H14 S2	P -1	8.7367; 10.0971; 11.6822 106.933; 90.765; 108.096	931	Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes. Organic letters, 2017, 19, 1382-1385
1545332	CIF	C29 H18 S2	P 1 21/c 1	11.4244; 12.1615; 15.7616 90; 106.018; 90	2104.9	Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes. Organic letters, 2017, 19, 1382-1385
1545333	CIF	C30 H22 S2	P 1 21/n 1	12.2546; 15.9304; 12.3845 90; 106.387; 90	2319.5	Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes. Organic letters, 2017, 19, 1382-1385
1545334	CIF	C30 H22 S2	P 1 21/c 1	9.0815; 9.8004; 25.2369 90; 93.118; 90	2242.8	Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes. Organic letters, 2017, 19, 1382-1385
1545335	CIF	C28 H14 S2	P 1 21/n 1	12.0014; 14.5055; 12.1322 90; 114.591; 90	1920.49	Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes. Organic letters, 2017, 19, 1382-1385
1545336	CIF	C23 H16 S	P 1 21/c 1	10.2837; 14.8777; 10.9847 90; 102.391; 90	1641.49	Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes. Organic letters, 2017, 19, 1382-1385
1545337	CIF	C22 H12 S	P 1 21 1	8.32; 3.9035; 21.515 90; 91.08; 90	698.6	Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes. Organic letters, 2017, 19, 1382-1385
1545338	CIF	C24 H44 Ce N O8 Pt2 S8	P 4/m c c	8.6742; 8.6742; 25.3428 90; 90; 90	1906.84	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545339	CIF	C24 H44 Ho N O8 Pt2 S8	P 4/m c c	8.5991; 8.5991; 25.4694 90; 90; 90	1883.32	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545340	CIF	C24 H44 La N O8 Pt2 S8	P 4/m c c	8.6867; 8.6867; 25.3813 90; 90; 90	1915.24	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545341	CIF	C24 H44 Lu N O8 Pt2 S8	P 4/m c c	8.5697; 8.5697; 25.5067 90; 90; 90	1873.21	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545342	CIF	C24 H44 N Nd O8 Pt2 S8	P 4/m c c	8.6502; 8.6502; 25.3992 90; 90; 90	1900.52	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545343	CIF	C24 H44 N O8 Pr Pt2 S8	P 4/m c c	8.6615; 8.6615; 25.413 90; 90; 90	1906.52	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545344	CIF	C24 H44 N O8 Pt2 S8 Sm	P 4/m c c	8.6302; 8.6302; 25.4187 90; 90; 90	1893.19	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545345	CIF	C24 H44 Dy N O8 Pt2 S8	P 4/m c c	8.6098; 8.6098; 25.515 90; 90; 90	1891.4	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545346	CIF	C24 H44 N O8 Pt2 S8 Tm	P 4/m c c	8.5844; 8.5844; 25.5043 90; 90; 90	1879.46	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545347	CIF	C24 H44 N O8 Pt2 S8 Y	P 4/m c c	8.5854; 8.5854; 25.5257 90; 90; 90	1881.48	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545348	CIF	C24 H44 N O8 Pt2 S8 Yb	P 4/m c c	8.5693; 8.5693; 25.5201 90; 90; 90	1874.02	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545349	CIF	C24 H44 Er N O8 Pt2 S8	P 4/m c c	8.5857; 8.5857; 25.5107 90; 90; 90	1880.5	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545350	CIF	C24 H44 N O8 Pt2 S8 Tb	P 4/m c c	8.6049; 8.6049; 25.4824 90; 90; 90	1886.83	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545351	CIF	C24 H44 Gd N O8 Pt2 S8	P 4/m c c	8.68; 8.68; 25.8359 90; 90; 90	1946.54	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545352	CIF	C24 H44 Gd N O8 Pt2 S8	P 4/m c c	8.6134; 8.6134; 25.4434 90; 90; 90	1887.66	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545353	CIF	C24 H44 Eu N O8 Pt2 S8	P 4/m c c	8.6247; 8.6247; 25.4329 90; 90; 90	1891.84	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545354	CIF	C24 H44 Gd N O8 Pd2 S8	P 4/m c c	8.6832; 8.6832; 25.8856 90; 90; 90	1951.72	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545355	CIF	C24 H44 N O8 Pd2 S8 Y	P 4/m c c	8.6638; 8.6638; 25.8747 90; 90; 90	1942.19	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545356	CIF	C40 H44 Dy O8 P Pt2 S8	P 4/n	12.6485; 12.6485; 15.1509 90; 90; 90	2423.9	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545357	CIF	C40 H44 O8 P Pt2 S8 Y	P 4/n	12.6436; 12.6436; 15.1616 90; 90; 90	2423.74	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545358	CIF	C40 H44 Gd O8 P Pt2 S8	P 4/n	12.8; 12.8; 15.345 90; 90; 90	2514.1	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545359	CIF	C40 H44 Ho O8 P Pt2 S8	P 4/n	12.6459; 12.6459; 15.14 90; 90; 90	2421.17	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545360	CIF	C40 H44 O8 P Pt2 S8 Tb	P 4/n	12.6486; 12.6486; 15.1552 90; 90; 90	2424.6	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545361	CIF	C40 H44 Gd O8 P Pt2 S8	P 4/n	12.6662; 12.6662; 15.1584 90; 90; 90	2431.9	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545362	CIF	C40 H44 Er O8 P Pt2 S8	P 4/n	12.6367; 12.6367; 15.1479 90; 90; 90	2418.91	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545363	CIF	C40 H44 Gd O8 P Pd2 S8	P 4/n	12.8122; 12.8122; 15.3823 90; 90; 90	2525	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545364	CIF	C40 H44 O8 P Pd2 S8 Y	P 4/n	12.8004; 12.8004; 15.373 90; 90; 90	2518.87	Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci., 2017, 8, 3566
1545365	CIF	C55 H80 B Mg N3 O3	P 1 21/c 1	9.17488; 19.0562; 30.0078 90; 93.281; 90	5237.91	Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci., 2017, 8, 3529
1545366	CIF	C42 H59 Mg N3 O	P 1 21/n 1	11.59209; 26.2784; 12.80407 90; 91.4753; 90	3899.1	Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci., 2017, 8, 3529
1545367	CIF	C38.5 H57 B Mg N2 O3	P 1 21/n 1	13.48093; 14.64625; 18.8268 90; 94.1686; 90	3707.42	Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci., 2017, 8, 3529
1545368	CIF	C22 H37 B2 N O5	P 1 21/n 1	11.549; 33.161; 13.3198 90; 105.633; 90	4912.46	Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci., 2017, 8, 3529
1545369	CIF	C19 H30 B N O3	P 31	9.7577; 9.7577; 17.8748 90; 90; 120	1473.9	Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci., 2017, 8, 3529
1545370	CIF	C25 H43 B2 N O5	P 21 21 21	10.0273; 12.4499; 21.5324 90; 90; 90	2688.1	Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci., 2017, 8, 3529
1545371	CIF	C14 H11 B F2 N2 O2	P 1 21/c 1	6.2396; 15.0244; 13.6239 90; 106.777; 90	1222.83	Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J. Structure and electronics in dimeric boron π expanded azine and salphen complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017
1545372	CIF	C29 H20 B2 Cl2 F4 N2 O2	P -1	11.2748; 14.4752; 17.3 110.39; 90.141; 100.184	2598.6	Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J. Structure and electronics in dimeric boron π expanded azine and salphen complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017
1545373	CIF	C28 H18 B2 F4 N2 O2	P b c n	10.5217; 12.6033; 16.7317 90; 90; 90	2218.8	Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J. Structure and electronics in dimeric boron π expanded azine and salphen complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017
1545374	CIF	C32 H30 B2 F4 N2 O4 S2	P 1 21/n 1	9.6836; 5.634; 27.2833 90; 96.073; 90	1480.15	Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J. Structure and electronics in dimeric boron π expanded azine and salphen complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017
1545375	CIF	C22 H15 B F2 N2 O2	P -1	8.1614; 9.4911; 11.3018 94.706; 101.989; 92.791	851.5	Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J. Structure and electronics in dimeric boron π expanded azine and salphen complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017
1545376	CIF HKL Paper	C22 H18 N2 O3	P 1 21/c 1	17.548; 8.719; 12.237 90; 108.38; 90	1776.8	El-Khatatneh, Nasseem; Vinayaka, A. C.; Chandra; Sadashiva, M. P.; Jeyaseelan, S.; Mahendra, M. 5-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole IUCrData, 2017, 2, x170278
1545377	CIF HKL Paper	C21 H30 O2	P 1 21 1	10.4395; 10.8739; 16.7853 90; 95.448; 90	1896.83	Mayr, Tobias; Grassl, Tobias; Korber, Nikolaus; Christoffel, Volker; Bodensteiner, Michael Cannabidiol revisited IUCrData, 2017, 2, x170276
1545378	CIF HKL	C14 H6 Cl2 N2 O4 Ru	P 43 21 2	8.8003; 8.8003; 19.772 90; 90; 90	1531.2	Takase, Tsugiko; Takahashi, Kasumi; Oyama, Dai <i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) IUCrData, 2017, 2, x170288
1545379	CIF HKL	C16 H23 Cl2 N O	P 1 21 1	6.9962; 18.654; 12.426 90; 91.273; 90	1621.3	Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha (1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one IUCrData, 2017, 2, x170255
1545380	CIF HKL Paper	C24 H18 N2 O	P 1 21/c 1	12.486; 9.738; 16.089 90; 109.518; 90	1843.8	Kawashima, Takuya; Okuno, Tsunehisa <i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide IUCrData, 2017, 2, x170277
1545381	CIF HKL Paper	C26 H14 Br2 O	P 1 21/c 1	17.511; 8.9191; 25.2761 90; 92.179; 90	3944.8	Chen, Yih-Chun; Watanabe, Motonori; Wen, Yuh-Sheng; Chang, Yuan Jay 2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one IUCrData, 2017, 2, x170301
1545382	CIF HKL Paper	C38 H36 Cl2 Cu N8 O12	P -1	8.6572; 8.8108; 14.2054 79.406; 86.24; 67.895	986.78	Chkirate, Karim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T. <i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II) IUCrData, 2017, 2, x170285
1545383	CIF HKL	C17 H27 N O	P 21 21 21	9.7147; 10.0052; 16.3078 90; 90; 90	1585.08	Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha <i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide IUCrData, 2017, 2, x170275
1545384	CIF HKL Paper	C14 H15 N O4 S	P 1 21/c 1	10.4328; 14.3157; 10.4869 90; 117.064; 90	1394.7	Shakuntala, K.; Kumari, Vijaya; Lokanath, N. K.; Naveen, S.; Suchetan, P. A. 2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide IUCrData, 2017, 2, x170311
1545385	CIF HKL Paper	C13 H12 Br2 N2 Sn	P -1	8.0315; 9.7147; 10.7577 111.205; 90.226; 109.381	730.81	Ma, Xiuming Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II) IUCrData, 2017, 2, x170316
1545386	CIF HKL Paper	C14 H15 N O6 S	P 1 21/n 1	9.5114; 12.308; 12.5537 90; 98.962; 90	1451.7	Kalaiyarasi, S.; Suresh, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G. 4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate IUCrData, 2017, 2, x170254
1545387	CIF HKL Paper	C19 H20 N4 O3	P -1	8.422; 10.041; 10.8799 101.889; 94.104; 90.402	897.79	Chkirate, Karim; Mague, Joel T.; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar <i>N</i>-{2-[2-(5-Methyl-1<i>H</i>-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate IUCrData, 2017, 2, x170251
1545388	CIF	C46 H64 Al Cl Fe O4 S2	P 21 21 21	10.4011; 14.8949; 29.04 90; 90; 90	4499	Wei, Junnian; Riffel, Madeline N.; Diaconescu, Paula L. Redox Control of Aluminum Ring-Opening Polymerization: A Combined Experimental and DFT Investigation Macromolecules, 2017, 50, 1847
1545389	CIF	C41 H68 F3 N7 O8	P 1 21 1	9.4629; 15.2084; 15.6029 90; 93.466; 90	2241.39	Mendelsohn, Brian A.; Barnscher, Stuart D.; Snyder, Josh T.; An, Zili; Dodd, Jennifer M.; Dugal-Tessier, Julien Investigation of Hydrophilic Auristatin Derivatives for Use in Antibody Drug Conjugates. Bioconjugate chemistry, 2017, 28, 371-381
1545390	CIF	C28 H44 O5	P 1 21 1	12.9683; 6.3279; 15.6194 90; 90.65; 90	1281.68	Tian, Hai-Yan; Ruan, Li-Jun; Yu, Tong; Zheng, Qing-Fei; Chen, Nan-Hao; Wu, Rui-Bo; Zhang, Xiao-Qi; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans. Journal of natural products, 2017, 80, 1182-1186
1545391	CIF	C24 H32 O3	P 21 21 21	8.42641; 10.9379; 21.7505 90; 90; 90	2004.68	Tian, Hai-Yan; Ruan, Li-Jun; Yu, Tong; Zheng, Qing-Fei; Chen, Nan-Hao; Wu, Rui-Bo; Zhang, Xiao-Qi; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans. Journal of natural products, 2017, 80, 1182-1186
1545392	CIF	C11 H16 O3	C 1 2 1	16.6466; 5.644; 13.4475 90; 124.53; 90	1040.86	Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization. Organic letters, 2017, 19, 1478-1481
1545393	CIF	C11 H16 O3	P 1 21/c 1	9.2526; 9.5299; 11.8393 90; 100.902; 90	1025.11	Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization. Organic letters, 2017, 19, 1478-1481
1545394	CIF	C17 H22 N2 O7	P 1 21 1	10.7132; 5.9764; 28.5202 90; 93.062; 90	1823.44	Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization. Organic letters, 2017, 19, 1478-1481
1545395	CIF	C11 H18 O3	C 1 2 1	16.3801; 5.9374; 13.2895 90; 123.907; 90	1072.69	Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization. Organic letters, 2017, 19, 1478-1481
1545396	CIF	C16 H10 Cl N O2	P -1	7.454; 7.9852; 12.3366 78.039; 87.32; 63.031	639.29	Song, Ping; Yu, Peng; Lin, Jin-Shun; Li, Yiqun; Yang, Ning-Yuan; Liu, Xin-Yuan Transition-Metal-Free β-C-H Bond Carbonylation of Enamides or Amides with a Trifluoromethyl Group as CO Surrogate for the Synthesis of 1,3-Oxazin-6-ones. Organic letters, 2017, 19, 1330-1333
1545397	CIF	C20 H16 F3 N O2	P -1	7.3942; 9.7789; 12.8841 104.277; 95.031; 106.485	853.17	Song, Ping; Yu, Peng; Lin, Jin-Shun; Li, Yiqun; Yang, Ning-Yuan; Liu, Xin-Yuan Transition-Metal-Free β-C-H Bond Carbonylation of Enamides or Amides with a Trifluoromethyl Group as CO Surrogate for the Synthesis of 1,3-Oxazin-6-ones. Organic letters, 2017, 19, 1330-1333
1545398	CIF	C16 H12 O5	P 1 21/c 1	10.4466; 4.1414; 29.012 90; 94.984; 90	1250.42	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361
1545399	CIF	C12 H15 N O6	P 1 21/n 1	13.8557; 4.7327; 19.297 90; 98.406; 90	1251.8	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361
1545400	CIF	C19 H15 F3 N2 O6	P -1	9.364; 9.834; 11.19 109.122; 91.307; 110.73	899.3	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361
1545401	CIF	C18 H15 F N2 O6	P 1 21/c 1	7.3857; 13.44; 33.366 90; 90.245; 90	3312	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361
1545402	CIF	C16 H17 N3 O8	P n a 21	20.8281; 4.7751; 16.9177 90; 90; 90	1682.57	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361
1545403	CIF	C16 H11 N O2	P 1 21/n 1	11.694; 14.981; 13.855 90; 94.039; 90	2421.2	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361
1545404	CIF	C15 H20 N2 O7	P 1 21/c 1	10.6032; 14.4941; 21.7899 90; 91.159; 90	3348.1	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361
1545405	CIF	C15 H17 N3 O8	P 21 21 21	4.6736; 17.606; 19.17 90; 90; 90	1577.4	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361
1545406	CIF	C11 H10 N2 O5	P b c a	4.8748; 17.909; 23.571 90; 90; 90	2057.8	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361
1545407	CIF	C13 H13 Cl F3 N O2	P 1 21/c 1	7.9012; 20.4333; 8.2112 90; 93.865; 90	1322.66	Bai, Peng; Li, Ya-Qiong; Huang, Zhi-Zhen A Four-Component Cascade C-H Functionalization/Cyclization/Nucleophilic Substitution Reaction To Construct α-Functionalized Tetrahydroquinolines by the Strategy of in Situ Directing Group Formation. Organic letters, 2017, 19, 1374-1377
1545408	CIF	C41 H66 Na O13	P 21 21 21	8.7285; 11.2868; 42.4644 90; 90; 90	4183.46	Igarashi, Yasuhiro; Matsuoka, Noriaki; In, Yasuko; Kataura, Tetsushi; Tashiro, Etsu; Saiki, Ikuo; Sudoh, Yuri; Duangmal, Kannika; Thamchaipenet, Arinthip Nonthmicin, a Polyether Polyketide Bearing a Halogen-Modified Tetronate with Neuroprotective and Antiinvasive Activity from Actinomadura sp. Organic letters, 2017, 19, 1406-1409
1545409	CIF	C17 H18 N2 O4	P 1 21/c 1	7.6922; 7.9904; 24.276 90; 93.51; 90	1489.3	Wang, Kai-Bo; Li, Da-Hong; Bao, Yu; Cao, Fei; Wang, Wen-Jing; Lin, Clement; Bin, Wen; Bai, Jiao; Pei, Yue-Hu; Jing, Yong-Kui; Yang, Danzhou; Li, Zhan-Lin; Hua, Hui-Ming Structurally Diverse Alkaloids from the Seeds of Peganum harmala. Journal of natural products, 2017, 80, 551-559
1545410	CIF	C19 H20 O6	P 1 21 1	8.3072; 8.03313; 12.8765 90; 101.571; 90	841.82	Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté Flavonoids from Erythrina schliebenii. Journal of natural products, 2017, 80, 377-383
1545411	CIF	C22 H22 O6	P b c a	6.92797; 14.3084; 37.5013 90; 90; 90	3717.4	Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté Flavonoids from Erythrina schliebenii. Journal of natural products, 2017, 80, 377-383
1545412	CIF	C19 H22 O6	P 21 21 2	10.888; 15.8264; 9.5461 90; 90; 90	1644.96	Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min Diterpenoids and Lignans from Cephalotaxus fortunei. Journal of natural products, 2017, 80, 356-362
1545413	CIF	C19 H26 O6	P 21 21 21	9.5867; 10.2119; 17.6325 90; 90; 90	1726.19	Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min Diterpenoids and Lignans from Cephalotaxus fortunei. Journal of natural products, 2017, 80, 356-362
1545414	CIF	C15 H16 Br N S2	P 1 21/n 1	8.363; 15.0592; 11.8316 90; 100.073; 90	1467.1	Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study. The journal of physical chemistry. A, 2017, 121, 977-985
1545415	CIF	Al56 Na56 O384 Si136	F d -3 m :2	24.7765; 24.7765; 24.7765 90; 90; 90	15209.7	Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755
1545416	CIF	Al56 H600 Na56 O684 Si136	F d -3 m :2	24.6654; 24.6654; 24.6654 90; 90; 90	15006	Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755
1545417	CIF	Al56 H300 Na56 O534 Si136	F d -3 m :2	24.6792; 24.6792; 24.6792 90; 90; 90	15031.2	Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755
1545418	CIF	Co F Li2 O4 P	P n m a	10.4528; 6.38673; 10.87638 90; 90; 90	726.1	Fedotov, Stanislav S.; Kabanov, Artem A.; Kabanova, Natalia A.; Blatov, Vladislav A.; Zhugayevych, Andriy; Abakumov, Artem M.; Khasanova, Nellie R.; Antipov, Evgeny V. Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries The Journal of Physical Chemistry C, 2017, 121, 3194
1545419	CIF	C36 H44 N O Si2 Tm	P 1 21/c 1	16.5773; 9.9339; 20.9573 90; 100.15; 90	3397.2	Lin, Fei; Wang, Meiyan; Pan, Yupeng; Tang, Tao; Cui, Dongmei; Liu, Bo Sequence and Regularity Controlled Coordination Copolymerization of Butadiene and Styrene: Strategy and Mechanism Macromolecules, 2017, 50, 849
1545420	CIF	C31 H44 N O Sc Si2	P 1 c 1	9.3221; 14.4831; 11.779 90; 99.289; 90	1569.5	Lin, Fei; Wang, Meiyan; Pan, Yupeng; Tang, Tao; Cui, Dongmei; Liu, Bo Sequence and Regularity Controlled Coordination Copolymerization of Butadiene and Styrene: Strategy and Mechanism Macromolecules, 2017, 50, 849
1545421	CIF	C36 H36 O8	C 1 2/c 1	30.8999; 4.6942; 28.5604 90; 120.027; 90	3586.71	Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes Macromolecules, 2017, 50, 900
1545422	CIF	C52 H68 O8	P 1 21/c 1	17.4115; 14.1588; 9.8695 90; 101.432; 90	2384.82	Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes Macromolecules, 2017, 50, 900
1545423	CIF	C48 H60 O8	P -1	5.0309; 18.8398; 29.826 105.524; 92.428; 97.0367	2694.93	Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes Macromolecules, 2017, 50, 900
1545424	CIF	C40 H38 O8	P -1	5.3252; 14.5283; 14.8739 63.9253; 87.608; 79.959	1016.99	Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes Macromolecules, 2017, 50, 900
1545425	CIF	C19 H26 N2 O5	P 1 21 1	6.6697; 12.9985; 10.514 90; 92.171; 90	910.87	Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue. Organic letters, 2017, 19, 1152-1155
1545426	CIF	C18 H24 N2 O3	P 21 21 21	8.6924; 9.2483; 21.1651 90; 90; 90	1701.46	Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue. Organic letters, 2017, 19, 1152-1155
1545427	CIF	C31 H40 O14	P 21 21 21	11.627; 32.192; 8.9821 90; 90; 90	3362	Song, Jian; Liu, Ye; Zhou, Ming; Cao, Hui; Peng, Xiao-Gang; Liang, Jing-Jing; Zhao, Xiao-Ya; Xiang, Ming; Ruan, Han-Li Spiroschincarins A-E: Five Spirocyclic Nortriterpenoids from the Fruit of Schisandra incarnata. Organic letters, 2017, 19, 1196-1199
1545428	CIF	C30 H38 O12	P 21 21 21	8.6631; 12.2511; 27.7132 90; 90; 90	2941.3	Song, Jian; Liu, Ye; Zhou, Ming; Cao, Hui; Peng, Xiao-Gang; Liang, Jing-Jing; Zhao, Xiao-Ya; Xiang, Ming; Ruan, Han-Li Spiroschincarins A-E: Five Spirocyclic Nortriterpenoids from the Fruit of Schisandra incarnata. Organic letters, 2017, 19, 1196-1199
1545429	CIF	C21 H20 O3	P c a 21	11.8946; 18.6719; 7.5647 90; 90; 90	1680.1	Kim, Ju Hyun; Song, Taemoon; Chung, Young Keun Rhodium-Catalyzed Intermolecular Carbonylative [2 + 2 + 1] Cycloaddition of Alkynes Using Alcohol as the Carbon Monoxide Source for the Formation of Cyclopentenones. Organic letters, 2017, 19, 1248-1251
1545430	CIF	C35 H26 N O2 P	P 1 21/n 1	10.697; 14.116; 18.102 90; 90; 90	2733	Xu, Jian; Yu, Xiaoxia; Song, Qiuling Silver-Catalyzed Radical-Involved Cascade Cyclization of Diphenylphosphine with Cinnamamides: Access to 2-Phosphinoyl-3H-pyrrolo[1,2-a]indoles. Organic letters, 2017, 19, 980-983
1545431	CIF	C11 H9.5 F1.5 O2 S	P 1	9.239; 9.369; 13.014 69.214; 85.843; 82.923	1044.6	Zhao, Bo-Liang; Du, Da-Ming Enantioselective Squaramide-Catalyzed Trifluoromethylthiolation-Sulfur-Michael/Aldol Cascade Reaction: One-Pot Synthesis of CF3S-Containing Spiro Cyclopentanone-Thiochromanes. Organic letters, 2017, 19, 1036-1039
1545432	CIF	C46 H38 N4 O3	P 1 21/n 1	10.906; 13.6; 24.805 90; 92.535; 90	3675.5	Li, Yi-Jin; Yan, Na; Liu, Chun-Hua; Yu, Yang; Zhao, Yu-Long Gold/Copper-Co-catalyzed Tandem Reactions of 2-Alkynylanilines: A Synthetic Strategy for the C2-Quaternary Indolin-3-ones. Organic letters, 2017, 19, 1160-1163
1545433	CIF	C19 H20 Br N O	P 21 21 21	6.0241; 10.6352; 26.263 90; 90; 90	1682.6	Yuan, Qianjia; Liu, Delong; Zhang, Wanbin Iridium-Catalyzed Asymmetric Hydrogenation of β,γ-Unsaturated γ-Lactams: Scope and Mechanistic Studies. Organic letters, 2017, 19, 1144-1147
1545434	CIF	C26 H25 N3 O3 S	C 1 2/c 1	22.3549; 14.4762; 16.9648 90; 121.65; 90	4673.5	Zeng, Zhongyi; Jin, Hongming; Xie, Jin; Tian, Bing; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K α-Imino Gold Carbenes from 1,2,4-Oxadiazoles: Atom-Economical Access to Fully Substituted 4-Aminoimidazoles. Organic letters, 2017, 19, 1020-1023
1545435	CIF	C13 H17 N O3	P c a 21	16.7256; 12.4161; 25.1262 90; 90; 90	5217.9	Klare, Hendrik F. T.; Goldberg, Alexander F. G.; Duquette, Douglas C.; Stoltz, Brian M. Oxidative Fragmentations and Skeletal Rearrangements of Oxindole Derivatives. Organic letters, 2017, 19, 988-991
1545436	CIF	C13 H13 F2 N O5	P -1	5.5051; 9.661; 12.4968 81.35; 80.175; 82.598	643.8	Liao, Jianhua; Fan, Lianfeng; Guo, Wei; Zhang, Zhenming; Li, Jiawei; Zhu, Chuanle; Ren, Yanwei; Wu, Wanqing; Jiang, Huanfeng Palladium-Catalyzed Fluoroalkylative Cyclization of Olefins. Organic letters, 2017, 19, 1008-1011
1545437	CIF	C12 H12 Br N O3	P b c a	7.7792; 11.9136; 25.989 90; 90; 90	2408.6	Zhang, Zhi-Qiang; Chen, Tao; Zhang, Fu-Min Copper-Assisted Direct Nitration of Cyclic Ketones with Ceric Ammonium Nitrate for the Synthesis of Tertiary α-Nitro-α-substituted Scaffolds. Organic letters, 2017, 19, 1124-1127
1545438	CIF	C12 H9 N O2	P 1 21/n 1	7.519; 8.0121; 15.9597 90; 103.624; 90	934.41	Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines. Organic letters, 2017, 19, 1172-1175
1545439	CIF	C20 H27 N3 O2	P 1 21/n 1	10.5287; 13.0679; 14.2874 90; 95.724; 90	1956	Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines. Organic letters, 2017, 19, 1172-1175
1545440	CIF	C32 H35 Br N3 O4 S2	P -1	9.6338; 11.7849; 14.3792 103.583; 97.723; 92.687	1567.24	Crespin, Lorène; Biancalana, Lorenzo; Morack, Tobias; Blakemore, David C.; Ley, Steven V. One-Pot Acid-Catalyzed Ring-Opening/Cyclization/Oxidation of Aziridines with N-Tosylhydrazones: Access to 1,2,4-Triazines. Organic letters, 2017, 19, 1084-1087
1545441	CIF	C12 H14 O3	P 1 21/c 1	6.441; 6.505; 25.382 90; 93.324; 90	1061.7	Tao, Cheng; Zhang, Jing; Chen, Xiaoming; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin Formal Synthesis of (±)-Aplykurodinone-1 through a Hetero-Pauson-Khand Cycloaddition Approach. Organic letters, 2017, 19, 1056-1059
1545442	CIF	C22 H25 N5 O4 S	C 1 2/c 1	20.31; 9.9126; 22.301 90; 105.025; 90	4336.3	Kaneda, Kyosuke; Naruse, Risa; Yamamoto, Syota 2-Aminobenzenesulfonamide-Containing Cyclononyne as Adjustable Click Reagent for Strain-Promoted Azide-Alkyne Cycloaddition. Organic letters, 2017, 19, 1096-1099
1545443	CIF	C10 H10 N2 O2 S	P 1 21 1	9.067; 8.352; 13.405 90; 90.005; 90	1015.1	Kaneda, Kyosuke; Naruse, Risa; Yamamoto, Syota 2-Aminobenzenesulfonamide-Containing Cyclononyne as Adjustable Click Reagent for Strain-Promoted Azide-Alkyne Cycloaddition. Organic letters, 2017, 19, 1096-1099
1545444	CIF	C29 H21 Br2 N O11	P 1 21 1	16.7882; 10.054; 17.3664 90; 91.709; 90	2929.9	Ghavre, Mukund; Froese, Jordan; Murphy, Brennan; Simionescu, Razvan; Hudlicky, Tomas A Formal Approach to Xylosmin and Flacourtosides E and F: Chemoenzymatic Total Synthesis of the Hydroxylated Cyclohexenone Carboxylic Acid Moiety of Xylosmin. Organic letters, 2017, 19, 1156-1159
1545445	CIF	C28 H26 N2 O5 S	P -1	10.43; 11.137; 12.934 68.18; 67.74; 70.59	1258.3	Zhang, Shuyao; Cheng, Beiming; Wang, Shen-An; Zhou, Ling; Tung, Chen-Ho; Wang, Jianwu; Xu, Zhenghu Gold-Catalyzed Cycloisomerization/1,5-H Migration/Diels-Alder Reaction Cascade: Synthesis of Complex Nitrogen-Containing Heterocycles. Organic letters, 2017, 19, 1072-1075
1545446	CIF	C9 H18 B10 N2 O	P 21 21 21	7.028; 19.93; 33.434 90; 90; 90	4683	Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes. Organic letters, 2017, 19, 862-865
1545447	CIF	C12 H24 B10 N2	P 1 21/n 1	7.0584; 12.616; 21.271 90; 97.699; 90	1877.1	Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes. Organic letters, 2017, 19, 862-865
1545448	CIF	C8 H15 B10 Br N2	P 1 21/n 1	7.547; 20.473; 9.936 90; 97.113; 90	1523.4	Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes. Organic letters, 2017, 19, 862-865
1545449	CIF	C10 H16 B10 N2	P 1 21/n 1	7.5719; 20.281; 10.3153 90; 95.029; 90	1578	Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes. Organic letters, 2017, 19, 862-865
1545450	CIF	C16 H13 Br F N3	P -1	9.9538; 11.0301; 15.5083 78.631; 74.036; 64.658	1473.29	Goitia, Asier; Gómez-Bengoa, Enrique; Correa, Arkaitz Selective C(sp(2))-H Halogenation of "Click" 4-Aryl-1,2,3-triazoles. Organic letters, 2017, 19, 962-965
1545451	CIF	C29 H33 Cl3 N2 O4 S2	P 21 21 21	10.6471; 17.0945; 17.2371 90; 90; 90	3137.3	Bertuzzi, Giulio; Sinisi, Alessandro; Pecorari, Daniel; Caruana, Lorenzo; Mazzanti, Andrea; Bernardi, Luca; Fochi, Mariafrancesca Nucleophilic Dearomatization of Pyridines under Enamine Catalysis: Regio-, Diastereo-, and Enantioselective Addition of Aldehydes to Activated N-Alkylpyridinium Salts. Organic letters, 2017, 19, 834-837
1545452	CIF	C19 H20 O3	P 1 21/n 1	5.7538; 17.7715; 15.5029 90; 96.093; 90	1576.27	Rao, Santhosh; Prabhu, Kandikere Ramaiah Gold-Catalyzed [2,3]-Sigmatropic Rearrangement: Reaction of Aryl Allyl Alcohols with Diazo Compounds. Organic letters, 2017, 19, 846-849
1545453	CIF	C28 H20 S2	C 1 2/c 1	20.153; 7.6811; 14.612 90; 107.931; 90	2152	Chaolumen, ?; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro Dithieno-Fused Polycyclic Aromatic Hydrocarbon with a Pyracylene Moiety: Strong Antiaromatic Contribution to the Electronic Structure. Organic letters, 2017, 19, 826-829
1545454	CIF	C21.87 H14.18 Br N O S	P b c a	8.5547; 20.782; 21.537 90; 90; 90	3828.9	Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides. Organic letters, 2017, 19, 774-777
1545455	CIF	C15 H13 N O3 S	P 1 21/c 1	12.6933; 7.6526; 15.0369 90; 113.961; 90	1334.76	Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides. Organic letters, 2017, 19, 774-777
1545456	CIF	C21 H17 Cl O S	P 1 21/c 1	20.6221; 5.5829; 16.5354 90; 112.431; 90	1759.7	Canestrari, Daniele; Lancianesi, Stefano; Badiola, Eider; Strinna, Chiara; Ibrahim, Hasim; Adamo, Mauro F. A. Desulfurative Chlorination of Alkyl Phenyl Sulfides. Organic letters, 2017, 19, 918-921
1545457	CIF	C23 H16 Cl F N2 O4 S	P 21 21 21	9.0392; 14.708; 15.6959 90; 90; 90	2086.7	Zhang, Bobo; Zhang, Xiang; Hu, Bei; Sun, Desong; Wang, Senlin; Zhang-Negrerie, Daisy; Du, Yunfei PhI(OCOCF3)2-Mediated Construction of a 2-Spiropseudoindoxyl Skeleton via Cascade Annulation of 2-Sulfonamido-N-phenylpropiolamide Derivatives. Organic letters, 2017, 19, 902-905
1545458	CIF	C43 H36 O4 P2	P 1 21/n 1	14.1257; 11.68; 22.185 90; 97.966; 90	3624.94	Sun, Jun; Qiu, Jiang-Kai; Wu, Ya-Nan; Hao, Wen-Juan; Guo, Cheng; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo Silver-Mediated Radical C(sp(3))-H Biphosphinylation and Nitration of β-Alkynyl Ketones for Accessing Functional Isochromenes. Organic letters, 2017, 19, 754-757
1545459	CIF	C18 H14 Br N2 O2	P 1 21 1	9.0525; 8.6536; 10.8768 90; 108.402; 90	808.48	Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction. Organic letters, 2017, 19, 758-761
1545460	CIF	C26 H21 N O6	P 1 21/c 1	16.642; 13.249; 10.403 90; 106.747; 90	2196	Li, Xuanyi; Han, Chunhua; Yao, Hequan; Lin, Aijun Organocatalyzed [3 + 2] Annulation of Cyclopropenones and β-Ketoesters: An Approach to Substituted Butenolides with a Quaternary Center. Organic letters, 2017, 19, 778-781
1545461	CIF	C29.5 H24 Cl N O2	P 1 21/n 1	9.4705; 10.7642; 23.159 90; 94.784; 90	2352.7	Luong, Tom; Chen, Shujie; Qu, Ke; McInturff, Emma L.; Krische, Michael J. Ruthenium(0)-Catalyzed C-C Coupling of Alkynes and 3-Hydroxy-2-oxindoles: Direct C-H Vinylation of Alcohols. Organic letters, 2017, 19, 966-968
1545462	CIF	C18 H12 Br N O4 S	P 1 21/n 1	8.907; 17.185; 11.076 90; 91.287; 90	1694.9	Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds. Organic letters, 2017, 19, 798-801
1545463	CIF	C19 H12 F3 N O4 S	P 1 21/n 1	7.9735; 13.888; 15.686 90; 96.433; 90	1726.1	Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds. Organic letters, 2017, 19, 798-801
1545464	CIF	C18 H13 N2 O6 S	P 1 21/n 1	7.9347; 13.383; 15.493 90; 90.928; 90	1645	Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds. Organic letters, 2017, 19, 798-801
1545465	CIF	C19 H15 N O4 S	P 1 21/n 1	10.786; 10.726; 14.291 90; 98.556; 90	1634.9	Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds. Organic letters, 2017, 19, 798-801
1545466	CIF	C20 H17 N O4 S	P 1 21/n 1	8.2666; 17.036; 12.631 90; 96.421; 90	1767.7	Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds. Organic letters, 2017, 19, 798-801
1545467	CIF	C40 H54 Br N2 O4 P S	P 1 21 1	10.7121; 9.923; 19.323 90; 97.966; 90	2034.1	Wang, Lisheng; Wu, Yi; Liu, Yang; Yang, Hua; Liu, Xu; Wang, Jianyi; Li, Xiaoxun; Jiang, Jun Copper-Catalyzed P-H Insertions of α-Imino Carbenes for the Preparation of 3-Phosphinoylindoles. Organic letters, 2017, 19, 782-785
1545468	CIF	C25 H19 F3 O4 S2	P 1 21/n 1	9.6162; 20.0202; 12.4958 90; 96.703; 90	2389.2	Li, Xiaojin; Sun, Yan; Huang, Xin; Zhang, Lei; Kong, Lichun; Peng, Bo Synthesis of o-Aryloxy Triarylsulfonium Salts via Aryne Insertion into Diaryl Sulfoxides. Organic letters, 2017, 19, 838-841
1545469	CIF	C9 H9 Au Cl N3	P -1	6.5022; 7.7532; 11.0346 77.138; 82.169; 83.193	535.03	Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes. Organic letters, 2017, 19, 822-825
1545470	CIF	C9 H9 Au Cl N3	P 1 21/n 1	11.6678; 7.5775; 12.8031 90; 115.593; 90	1020.9	Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes. Organic letters, 2017, 19, 822-825
1545471	CIF	C34.5 H51 Br O18	P 1 21 1	11.1264; 23.9534; 15.5703 90; 92.3778; 90	4146.1	Hayashi, Taiki; Ohmori, Ken; Suzuki, Keisuke Synthetic Study on Carthamin. 2. Stereoselective Approach to C-Glycosyl Quinochalcone via Desymmetrization. Organic letters, 2017, 19, 866-869
1545472	CIF	C32 H33 N3 O8	C 1 2 1	25.678; 11.0955; 19.564 90; 138.94; 90	3661.3	Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis. Organic letters, 2017, 19, 942-945
1545473	CIF	C34.2 H42.09 N3 O9.5	P 1 21 1	15.7527; 8.9786; 24.0362 90; 108.197; 90	3229.6	Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis. Organic letters, 2017, 19, 942-945
1545474	CIF	C20 H16 O7	P -1	7.478; 10.2072; 11.8614 107.051; 91.711; 96.066	858.97	Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub Enantioselective Synthesis of Cephalimysins B and C. Organic letters, 2017, 19, 750-753
1545475	CIF	C20 H16 O7	P 1 21/n 1	6.8562; 10.2038; 24.6697 90; 92.102; 90	1724.7	Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub Enantioselective Synthesis of Cephalimysins B and C. Organic letters, 2017, 19, 750-753
1545476	CIF	C37 H28 Ag2 N8	P 42/n b c	15.784; 15.784; 31.144 90; 90; 90	7759	Sheng, Daopeng; Zhu, Lin; Xu, Chao; Xiao, Chengliang; Wang, Yanlong; Wang, Yaxing; Chen, Lanhua; Diwu, Juan; Chen, Jing; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao Efficient and Selective Uptake of TcO4(-) by a Cationic Metal-Organic Framework Material with Open Ag(+) Sites. Environmental science & technology, 2017
1545477	CIF	C37 H28 Ag2 N8 O8 Re2	P -4	15.4983; 15.4983; 7.6894 90; 90; 90	1847	Sheng, Daopeng; Zhu, Lin; Xu, Chao; Xiao, Chengliang; Wang, Yanlong; Wang, Yaxing; Chen, Lanhua; Diwu, Juan; Chen, Jing; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao Efficient and Selective Uptake of TcO4(-) by a Cationic Metal-Organic Framework Material with Open Ag(+) Sites. Environmental science & technology, 2017
1545478	CIF	C23 H33 Cl2 N O3 S	I 1 2/a 1	26.9274; 5.87596; 29.0682 90; 90.0555; 90	4599.29	Saint-Dizier, François; Simpkins, Nigel S. First total synthesis of concavine Chem. Sci., 2017, 8, 3384
1545479	CIF HKL Paper	C18 H23 Cl N6 O2	P 1 21/c 1	25.3512; 14.9091; 10.7525 90; 101.725; 90	3979.3	Mohamed Abdelahi, Mohamed Mokhtar; Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 3-Chloro-6-nitro-1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-indazole IUCrData, 2017, 2, x170146
1545480	CIF HKL Paper	C20 H21.33333 F N O4.66667	P 1 21 1	15.4975; 7.8125; 24.1875 90; 107.517; 90	2792.7	Wang, Xiao-Guang; Ma, Qing-Shuang; Sun, Bin; Xu, Lei; Zhan, Feng-Tao; Zheng, Geng-Xiu (<i>S</i>)-3-[(<i>S</i>)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate IUCrData, 2017, 2, x170213
1545481	CIF HKL	C14 H14 O5	P 1 21/c 1	9.5679; 11.433; 12.7993 90; 108.257; 90	1329.6	Bassou, Oulemda; Chicha, Hakima; Bouissane, Latifa; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen Ethyl (<i>E</i>)-2-(2,7-dimethyl-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-4-ylidene)acetate IUCrData, 2017, 2, x170208
1545482	CIF HKL Paper	C23 H20 N4 O S	P 1 21/c 1	11.8003; 17.9297; 9.8723 90; 110.279; 90	1959.3	Hou, Qian; Li, Lu; Wang, Hewen (<i>E</i>)-2-({[3-Benzylsulfanyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-4-yl]imino}methyl)phenol IUCrData, 2017, 2, x170211
1545483	CIF HKL Paper	C18 H18 N4 O	P 1 21/c 1	8.6575; 7.1749; 25.3062 90; 93.782; 90	1568.51	Samba, Mohamed; Djerrari, Bahia; Minnih, Mohamed Said; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. (4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one IUCrData, 2017, 2, x170256
1545484	CIF HKL Paper	C15 H26 O	P 63	16.2421; 16.2421; 8.9182 90; 90; 120	2037.5	Inoue, Yutaka Patchouli alcohol: 4α,8aβ,9,9-tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-methanonaphthalen-1β(2<i>H</i>)-ol IUCrData, 2017, 2, x170189
1545485	CIF HKL	C9.25 H15.25 Cl0.75 I N2 Se	P -1	10.525; 13.4368; 20.112 71.141; 89.472; 76.46	2610	Schollmeyer, Dieter; Detert, Heiner 3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1) IUCrData, 2017, 2, x170167
1545486	CIF HKL Paper	C16 H12 N2 O3	P -1	7.7193; 8.6977; 9.5907 90.457; 95.07; 90.627	641.34	Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Adam, Mohamed Shaker S.; Hawaiz, Farouq E. 3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one IUCrData, 2017, 2, x170139
1545487	CIF HKL Paper	C19 H19 N O2	P 1 21/a 1	9.44; 14.6051; 12.321 90; 105.68; 90	1635.5	Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha 2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide IUCrData, 2017, 2, x170200
1545488	CIF HKL	C14 H11 Cl N2 O4	P 1 21/c 1	14.3727; 4.8669; 22.3233 90; 118.859; 90	1367.6	Öv Bodur, Gönül Sevde; Yavuz, Metin; Dege, Necmi; Bülbül, Hakan; Ağar, Erbil (<i>E</i>)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol IUCrData, 2017, 2, x170177
1545489	CIF HKL	C9 H3 Cl9	P 43	9.5435; 9.5435; 15.9424 90; 90; 90	1452.01	Tober, Natalie; Schollmeyer, Dieter; Detert, Heiner 1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene IUCrData, 2017, 2, x170227
1545490	CIF HKL Paper	C15 H17 N5 S	P 1 21/n 1	7.9322; 15.2415; 13.6694 90; 106.316; 90	1586.06	Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M. 3-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione IUCrData, 2017, 2, x170153
1545491	CIF HKL Paper	C6 H8 Cl2 N2 Pd	P 1 2/c 1	7.0734; 10.4076; 6.7019 90; 116.683; 90	440.83	Konno, Yosuke; Matsushita, Nobuyuki Dichlorido(<i>o</i>-phenylenediamine)palladium(II) IUCrData, 2017, 2, x170144
1545492	CIF HKL Paper	C18 H8 F26 N2 S3	C 1 2/c 1	41.014; 5.7338; 11.88 90; 94.442; 90	2785.4	Partl, Gabriel; Laus, Gerhard; Wurst, Klaus; Kopacka, Holger; Müller, Thomas; Huppertz, Hubert; Schottenberger, Herwig 2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]-1,3,4-thiadiazole IUCrData, 2017, 2, x170110
1545493	CIF HKL Paper	C9 H14 N6 O6	P 1 21/n 1	7.205; 19.8831; 9.7676 90; 105.691; 90	1347.14	Lahmidi, Sanae; Essassi, El Mokhtar; Benchidmi, Mohammed; Saadi, Mohamed; El Ammari, Lahcen 3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate IUCrData, 2017, 2, x170159
1545494	CIF HKL Paper	C12 H17 N O7 S	P 1 21 1	5.454; 8.8013; 30.2297 90; 92.835; 90	1449.32	Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B. <small>L</small>-Glutaminium 4-methylbenzenesulfonate IUCrData, 2017, 2, x170162
1545495	CIF HKL Paper	C9 H9 N O S	P b c a	7.3148; 8.403; 27.67 90; 90; 90	1700.8	Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T. 4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one IUCrData, 2017, 2, x170097
1545496	CIF HKL Paper	C23 H19 N O3	P 1 21/c 1	10.1567; 8.5396; 21.8019 90; 99.329; 90	1865.96	Ravi, A. J.; Vinduvahini, M.; Vinayaka, A. C.; Sadashiva, M. P.; Devarajegowda, H. C. (<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione IUCrData, 2017, 2, x170043
1545497	CIF HKL Paper	C6 H11 N O6	P 41 21 2	7.5446; 7.5446; 27.6498 90; 90; 90	1573.85	Asserar, Fatima; Guenoun, Farhate; Sekkat, Chakib; Labrim, Hicham; Marah, Hamid; Zouihri, Hafid; Yamni, Khalid Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate) IUCrData, 2017, 2, x170249
1545498	CIF HKL	C30 H32 N2 O2	C 1 2/c 1	18.0993; 14.2646; 9.599 90; 105.345; 90	2389.9	Bendia, Sabrina; Ouari, Kamel; Karmazin, Lydia 1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterionic form IUCrData, 2017, 2, x170169
1545499	CIF HKL Paper	C18 H22 N4 O3	P -1	8.338; 10.435; 10.885 102.95; 97.94; 97.51	901.2	Wen, Gao-Ju; Wang, Ming-Xin; Gu, Lian-Shuai Ethyl 3-[3-amino-4-methylamino-<i>N</i>-(pyridin-2-yl)benzamido]propanoate IUCrData, 2017, 2, x161941
1545500	CIF HKL Paper	C13 H11 Cl N4 O S	P 1 21/c 1	4.9309; 17.1173; 16.6517 90; 91.189; 90	1405.16	Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M. 5-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-1,3,4-oxadiazole-2(3<i>H</i>)-thione IUCrData, 2017, 2, x170176
1545501	CIF HKL Paper	C16 H24 Cl2 O	P 21 21 21	13.373; 13.996; 17.219 90; 90; 90	3222.9	Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Ait Elhad, Mustapha; Oukhrib, Abdelouahd; Berraho, Moha 1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyltricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone IUCrData, 2017, 2, x170198
1545502	CIF HKL Paper	C21 H16 Br F N2 O2 S	P -1	8.1732; 10.5828; 12.1781 113.699; 94.617; 99.203	939.81	Yadav, C. Suresh; Viswanathan, Vijayan; Kannadasan, Sathananthan; Velmurugan, Devadasan <i>N</i>-[(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-4-fluoroaniline IUCrData, 2017, 2, x170147
1545503	CIF HKL Paper	C21 H21 F2 N3 O4 S	P 1 21 1	5.93718; 16.9484; 10.8841 90; 103.797; 90	1063.62	Ma, Qing-Shuang; Wang, Xiao-Guang; Xu, Lei; Bin, Sun; Xia, Dao-Hong; Zheng, Geng-Xiu {(3<i>S</i>,5<i>R</i>)-5-(2,4-Difluorophenyl)-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate IUCrData, 2017, 2, x170242
1545504	CIF HKL	C38 H42 N2 O8 Rh2	P 1 21/n 1	10.7224; 11.1042; 14.7761 90; 96.078; 90	1749.41	Selent, Detlef; Drexler, Hans-Joachim Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium] IUCrData, 2017, 2, x170205
1545505	CIF HKL Paper	C17 H12 N4 O2	P 1 21/c 1	12.632; 9.3954; 12.3733 90; 102.708; 90	1432.52	Ghomsi Nathan, Joseph Tene; Hamou Ahabchane, Noureddine; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T. 1-(3-Phenyl-1<i>H</i>-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione IUCrData, 2017, 2, x170073
1545506	CIF HKL Paper	C18 H16 N2 O	P 1 21/c 1	11.6326; 6.1866; 20.1712 90; 98.023; 90	1437.44	Chetioui, Souheyla; Boutebdja, Mehdi; Boudraa, Mhamed; Touzani, Rachid; Merazig, Hocine (<i>E</i>)-1-[2-(3,4-Dimethylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate IUCrData, 2017, 2, x170259
1545507	CIF HKL Paper	C13 H11 I N O3.5 S	P -1	10.6311; 11.0403; 12.034 97.594; 92.173; 99.423	1378.59	Suchetan, P. A.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Naveen, S.; Warad, Ismail 4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate IUCrData, 2017, 2, x170149
1545508	CIF HKL Paper	C7 H6 N2 Se	P 1 21/c 1	10.2436; 4.7669; 14.1543 90; 96.6007; 90	686.58	Ouahine, Halima; Ait Ali, Mustapha; El Firdoussi, Larbi; Spannenberg, Anke 5-Methylbenzo[<i>d</i>][2,1,3]selenadiazole IUCrData, 2017, 2, x170226
1545509	CIF	C22 H21 N O3 S	P 21 21 21	9.509; 13.094; 15.323 90; 90; 90	1907.9	Yang, Zhusheng; Chen, Fei; Zhang, Shuxin; He, Yanmei; Yang, Nianfa; Fan, Qing-Hua Ruthenium-Catalyzed Enantioselective Hydrogenation of Phenanthridine Derivatives Organic Letters, 2017
1545510	CIF	C14 H13 N O3 S	P b c a	9.2267; 9.9695; 28.6206 90; 90; 90	2632.68	Liu, Chengwei; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal Palladium-Catalyzed Suzuki–Miyaura Cross-Coupling of N-Mesylamides by N–C Cleavage: Electronic Effect of the Mesyl Group Organic Letters, 2017
1545511	CIF	C47 H62 N6 Ti	P -1	10.2323; 13.2844; 16.9919 100.164; 104.521; 95.151	2179	Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N. Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl) Chem. Sci., 2017, 8, 3410
1545512	CIF	C46 H55 N4 P Ti	P 1 21/c 1	18.3497; 10.3436; 25.5974 90; 108.022; 90	4620.1	Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N. Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl) Chem. Sci., 2017, 8, 3410
1545513	CIF	C49 H62 N4 O Ti	P -1	13.1179; 13.2082; 13.7748 105.738; 99.727; 98.022	2220.5	Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N. Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl) Chem. Sci., 2017, 8, 3410
1545514	CIF	F8 Li4 Zr	P n m a	9.581; 9.611; 5.663 90; 90; 90	521.47	Dugat, Pierre; El-Ghozzi, Malika; Metin, Jacques; Avignant, Daniel Crystal Structures of Li4ZrF8 and Li3Zr4F19 and Reinvestigation of the LiF-ZrF4 Phase Diagram Journal of Solid State Chemistry, 1995, 120, 187-196
1545515	CIF	C16 H16 I2	P 1 c 1	8.4867; 11.5788; 16.5698 90; 92.762; 90	1626.35	Janhsen, B.; Daniliuc, C. G.; Studer, A. Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes – a tool for estimating π-conjugation in aromatic systems Chem. Sci., 2017, 8, 3547
1545516	CIF	C16 H14 I2	P 1 21/c 1	11.4988; 15.9491; 8.2449 90; 97.906; 90	1497.71	Janhsen, B.; Daniliuc, C. G.; Studer, A. Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes – a tool for estimating π-conjugation in aromatic systems Chem. Sci., 2017, 8, 3547
1545517	CIF	C66 H62 N7 O7 S	P -1	10.2417; 17.4702; 18.1698 117.24; 90.58; 92.649	2885.6	Martinez-Cuezva, Alberto; Saura-Sanmartin, Adrian; Nicolas-Garcia, Tomas; Navarro, Cristian; Orenes, Raul-Angel; Alajarin, Mateo; Berna, Jose Photoswitchable interlocked thiodiglycolamide as a cocatalyst of a chalcogeno-Baylis‒Hillman reaction Chem. Sci., 2017, 8, 3775
1545518	CIF	C52 H54 N2 O5	P 21 21 21	10.807; 27; 28.2406 90; 90; 90	8240.3	Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide Chem. Sci., 2017, 8, 3260
1545519	CIF	C20 H18 Cu F6 N10 O8 S2	P -1	7.3568; 10.0126; 10.8607 110.106; 95.309; 106.922	702.02	Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide Chem. Sci., 2017, 8, 3260
1545520	CIF	C19 H13 Cl F3 N5 O2	P 21 21 21	10.7343; 12.0336; 28.9712 90; 90; 90	3742.28	Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide Chem. Sci., 2017, 8, 3260
1545521	CIF	C22 H20 O6	P -1	8.7557; 10.3822; 11.1677 63.052; 82.84; 86.27	897.85	Cretenoud, Julien; Özen, Bilal; Schmaltz, Thomas; Görl, Daniel; Fabrizio, Alberto; Corminboeuf, Clémence; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Frauenrath, Holger Synthesis and characterization of semiaromatic polyamides comprising benzofurobenzofuran repeating units Polym. Chem., 2017, 8, 2197
1545522	CIF	C25 H33 N2 O6.5	P -1	10.191; 13.7072; 19.0724 90.789; 103.313; 109.953	2424.55	Cretenoud, Julien; Özen, Bilal; Schmaltz, Thomas; Görl, Daniel; Fabrizio, Alberto; Corminboeuf, Clémence; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Frauenrath, Holger Synthesis and characterization of semiaromatic polyamides comprising benzofurobenzofuran repeating units Polym. Chem., 2017, 8, 2197
1545523	CIF HKL Paper	C14 H16 N6 S4	C 1 2/c 1	15.4313; 5.6117; 22.8702 90; 108.713; 90	1875.77	Sonia, A. S.; Baskaran, R.; Selvanayagam, S. Crystal structure of 3-[({[bis(2-cyanoethyl)carbamothioyl]disulfanyl}methanethioyl)(2-cyanoethyl) amino]propanenitrile IUCrData, 2017, 2, x170346
1545524	CIF	C21 H17 N O	P 1 21/n 1	11.6918; 9.6408; 14.6263 90; 104.815; 90	1593.84	Nayak, Maloy; Kang, Young Kee; Kim, Ikyon Altering the Cyclization Modes: Temperature-Dependent Intramolecular 7-Endo-Dig vs 6-Endo-Dig Electrophilic Ring Closures. Organic letters, 2017, 19, 1474-1477
1545525	CIF	C20 H15 N O	P -1	8.9477; 9.8191; 10.1325 100.835; 102.579; 115.911	739.75	Nayak, Maloy; Kang, Young Kee; Kim, Ikyon Altering the Cyclization Modes: Temperature-Dependent Intramolecular 7-Endo-Dig vs 6-Endo-Dig Electrophilic Ring Closures. Organic letters, 2017, 19, 1474-1477
1545526	CIF	C32 H24 N2	P n a 21	12.6825; 14.4458; 13.1365 90; 90; 90	2406.72	Kim, Og Soon; Jang, Jin Hyeok; Kim, Hyun Tae; Han, Su Jin; Tsui, Gavin Chit; Joo, Jung Min Synthesis of Fluorescent Indazoles by Palladium-Catalyzed Benzannulation of Pyrazoles with Alkynes. Organic letters, 2017, 19, 1450-1453
1545527	CIF	C40 H58 N2 Na O7 P3	P 21 21 21	13.7779; 14.7189; 21.2291 90; 90; 90	4305.2	Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720
1545528	CIF	C45 H38 B F15 N2 O P2	P 1 21/n 1	14.0829; 20.6872; 15.9795 90; 99.559; 90	4590.8	Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720
1545529	CIF	C27 H41 B N2 O P2	P n m a	12.9335; 20.866; 10.2861 90; 90; 90	2775.9	Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720
1545530	CIF	C218 H276 N4 Na2 O6 P6	P -1	14.6157; 18.3339; 23.554 85.401; 81.374; 78.671	6110.2	Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720
1545531	CIF	C38 H53 N3 O P2	P n m a	21.5089; 17.8123; 9.2449 90; 90; 90	3541.9	Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720
1545532	CIF	C70 H99 N5 Na2 O11 P6	P 1 21/c 1	27.6426; 11.7291; 24.5253 90; 103.246; 90	7740.1	Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720
1545533	CIF	C56.5 H55.25 N8 O17.25	P -1	7.472; 20.571; 24.604 69.4; 84.5; 85.66	3520.1	Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741
1545534	CIF	C172 H112 Ca2 N32 O111 S8	C 1 2/c 1	34.1155; 45.9981; 33.3135 90; 109.407; 90	49307	Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741
1545535	CIF	C103 H97 N16 O38.5	P 1 21/n 1	28.255; 51.842; 30.331 90; 110.957; 90	41490	Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741
1545536	CIF	C205.5 H135.5 Ca6.25 N32 O82.5	P b c a	34.859; 29.286; 51.432 90; 90; 90	52506	Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741
1545537	CIF	C26 H23 Cl N2 O7	P 1 21/c 1	23.14; 5.19; 21.2642 90; 111.714; 90	2372.5	Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4
1545538	CIF	C27 H26 Cl N3 O8	P -1	21.348; 4.1931; 15.2174 90.567; 101.4; 89.473	1335.2	Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4
1545539	CIF	C27 H24 Cl N3 O7	P 1 21/c 1	4.8977; 40.914; 12.8874 90; 100.328; 90	2540.6	Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4
1545540	CIF	C28 H25 Cl N2 O8	P 1 21 1	17.2939; 4.8191; 16.9544 90; 113.529; 90	1295.5	Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4
1545541	CIF	C26 H27 Cl N2 O7	P -1	11.7638; 20.5548; 5.1627 89.543; 93.3; 96.276	1238.8	Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4
1545542	CIF	Mg O3 Si	P b c n	9.34; 8.79; 5.36 90; 90; 90	440	Sadanaga, R.; Okamura, F.P.; Takeda, H. X-ray study of the phase transformations of enstatite :Sample at 1100 C Mineralogical Journal, 1969, 6, 110-130
1545543	CIF	C29 H50 Cl2 N2 O12 Pd3	C 1 2/c 1	25.3774; 8.3627; 19.7264 90; 116.32; 90	3752.41	He, Chuan; Gaunt, Matthew J. Ligand-assisted palladium-catalyzed C‒H alkenylation of aliphatic amines for the synthesis of functionalized pyrrolidines Chem. Sci., 2017, 8, 3586
1545544	CIF	C12 H10 N6 O7 Pb	P 1 21/n 1	7.9846; 17.4996; 11.4514 90; 93.064; 90	1597.79	Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L. FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds Faraday Discuss., 2017
1545545	CIF	C16 H15 N6 O2 Pb S2	P 1 21/c 1	12.964; 8.401; 18.917 90; 105.216; 90	1988	Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L. FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds Faraday Discuss., 2017
1545546	CIF	C12 H10 Cl2 N4 O Pb	P b c a	14.0154; 12.5288; 16.4104 90; 90; 90	2881.6	Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L. FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds Faraday Discuss., 2017
1545547	CIF	Bi2 O3	P -4 21 c	7.7299; 7.7299; 5.6587 90; 90; 90	338.115	Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M. Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph Scientific Reports, 2016, 6, 39561-39561
1545548	CIF	C21 H23 Cl F N O2	P 1 21/n 1	7.7503; 8.9174; 26.8821 90; 90.435; 90	1857.84	Lee, Hung Lin; Vasoya, Jaydip M.; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T. M. Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder. Molecular pharmaceutics, 2017, 14, 1278-1291
1545549	CIF	C61 H48 N8 S9 U2	P 21 21 21	28.579; 28.912; 33.323 90; 90; 90	27534	Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609
1545550	CIF	C100 H112 N8 O2 S2 U2	C 1 2/c 1	17.3745; 34.224; 17.013 90; 112.037; 90	9377.3	Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609
1545551	CIF	C101 H105 N8 O2 S U2	P -1	15.9605; 16.6905; 18.0699 67.132; 86.551; 82.45	4396.61	Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609
1545552	CIF	C106 H130 B K N8 O5 U2	P n m a	29.6933; 29.9161; 10.8656 90; 90; 90	9652	Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609
1545553	CIF	C110 H138 B N8 Na O6 U2	C 1 2/c 1	15.5798; 33.7862; 20.7334 90; 105.543; 90	10514.6	Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609
1545554	CIF HKL	C14 H20 N4	P 1 21/n 1	5.874; 21.077; 5.974 90; 110.372; 90	693.4	Begum, Farzana; Twamley, Brendan; Baker, Robert J. (<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile) IUCrData, 2017, 2, x170369
1545555	CIF HKL Paper	C12 H7 Cl4 N O2 S	P -1	8.1107; 8.2615; 11.2048 86.791; 70.625; 85.783	705.96	Shakuntala, K.; Lokanath, N. K.; Naveen, S.; Suchetan, P. A. 3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide IUCrData, 2017, 2, x170372
1545556	CIF HKL	C17 H19 N O3	P 1 21/n 1	10.857; 9.0549; 14.955 90; 91.006; 90	1469.99	Ait Elhad, Mustapha; Benharref, Ahmed; Taourirte, Moha; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha 1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone IUCrData, 2017, 2, x170368
1545557	CIF HKL	C13 H11 Cl2 N O2 S	P 21 21 21	6.1673; 13.0059; 17.6433 90; 90; 90	1415.19	Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A. 3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide IUCrData, 2017, 2, x170375
1545558	CIF HKL Paper	C11 H5 Br2 Cl O3	P 1 21/n 1	7.9086; 6.7115; 22.64 90; 96.744; 90	1193.4	Yarbagi, K. M.; Chennuru, R.; Paul, D.; Venkateswara Rao, B.; Mahapatra, S. 6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one IUCrData, 2017, 2, x170356
1545559	CIF HKL	C8 H3 Br2 N O2	P -1	7.1044; 10.5317; 12.2598 108.078; 93.481; 101.484	847.1	Golen, James A.; Manke, David R. 5,6-Dibromo-1<i>H</i>-indole-2,3-dione IUCrData, 2017, 2, x170355
1545560	CIF HKL	C17 H16 Cl N5 O3	P 21 21 21	4.7931; 10.4177; 33.685 90; 90; 90	1682	Sun, Yanwen; Wu, Haolei; Wei, Changheng; Gao, Mei; Shen, Zeyi; Li, Hongsen 4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one IUCrData, 2017, 2, x170370
1545561	CIF	C9 H9 N O2	P 1 21/c 1	9.7456; 14.1679; 6.2215 90; 106.761; 90	822.54	Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes. Organic letters, 2017, 19, 1694-1697
1545562	CIF	C16 H12 Cl N O4	P -1	7.1293; 8.5344; 12.1967 92.8941; 92.3808; 99.1117	730.88	Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes. Organic letters, 2017, 19, 1694-1697
1545563	CIF	C27 H30 N2 O4 S	P 1 21/c 1	8.799; 12.568; 22.97 90; 97.36; 90	2519.2	Zhen, Le; Wang, Jiankun; Xu, Qing-Long; Sun, Hongbin; Wen, Xiaoan; Wang, Guangji Direct Intermolecular C-H Functionalization Triggered by 1,5-Hydride Shift: Access to N-Arylprolinamides via Ugi-Type Reaction. Organic letters, 2017, 19, 1566-1569
1545564	CIF	C38 H31 N3 O	P 21 21 21	10.3342; 12.1948; 23.5406 90; 90; 90	2966.7	Zhu, Zi-Qi; Shen, Yang; Liu, Jin-Xi; Tao, Ji-Yu; Shi, Feng Enantioselective Direct α-Arylation of Pyrazol-5-ones with 2-Indolylmethanols via Organo-Metal Cooperative Catalysis. Organic letters, 2017, 19, 1542-1545
1545565	CIF HKL Paper	C17 H12 O4	P 1 21/c 1	4.07206; 11.9589; 27.5626 90; 90.306; 90	1342.21	Li, Weijie; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru; Mao, Pu 3-Benzoyl-7-methoxy-2<i>H</i>-chromen-2-one IUCrData, 2017, 2, x170373
1545566	CIF HKL Paper	C4 H2 Au K N4 O	P 21 21 21	6.646; 7.0733; 17.4356 90; 90; 90	819.63	Matsushita, Nobuyuki; Noguchi, Wataru; Tanaka, Rikako Potassium tetracyanidoaurate(III) monohydrate: a redetermination IUCrData, 2017, 2, x170382
1545567	CIF HKL Paper	C9 H7 N O2	P 1 21/n 1	7.8114; 3.8832; 24.362 90; 99.055; 90	729.77	Lyncee, Myrria-Tahisha A.; Desikan, Vasumathi; Golen, James A.; Manke, David R. 7-Methyl-1<i>H</i>-indole-2,3-dione IUCrData, 2017, 2, x170378
1545568	CIF	F19 Li3 Zr4	P -1	5.418; 10.822; 12.708 107.7; 92; 103.4	686	Dugat, Pierre; El-Ghozzi, Malika; Metin, Jacques; Avignant, Daniel Crystal Structures of Li4ZrF8 and Li3Zr4F19 and Reinvestigation of the LiF-ZrF4 Phase Diagram Journal of Solid State Chemistry, 1995, 120, 187-196
1545569	CIF	C3 H14 Al2 F3 N2 O6 P	P 1 21/m 1	11.072; 7.012; 6.1096 90; 100.98; 90	465.65	Simon, N.; Guillou, N.; Loiseau, T.; Taulelle, F.; Ferey, G. Synthesis and ab Initio Structure Determination from X-Ray Powder Diffraction of MIL-12, a New Layered Fluoroaluminophosphate Templated with 1,3 Diaminopropane: [N2C3H12]Al2(PO4)(OHx, F5-x) (x close to 2) Journal of Solid State Chemistry, 1999, 147, 92-98
1545570	CIF	C26 H46 N5 O9 Yb	P 1 21/c 1	13.4135; 16.7937; 14.9527 90; 119.464; 90	2932.6	Mason, Kevin; Rogers, Nicola J.; Suturina, Elizaveta A.; Kuprov, Ilya; Aguilar, Juan A.; Batsanov, Andrei S.; Yufit, Dmitry S.; Parker, David PARASHIFT Probes: Solution NMR and X-ray Structural Studies of Macrocyclic Ytterbium and Yttrium Complexes Inorganic Chemistry, 2017, 56, 4028-4038
1545571	CIF	C63 H101 O23	P 1	11.5223; 11.5593; 14.854 109.544; 94.088; 113.055	1668.16	Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities. Journal of natural products, 2017, 80, 1102-1109
1545572	CIF	C23 H16 N2 O	P 1 21/c 1	9.8524; 11.3434; 14.8547 90; 97.106; 90	1647.41	Zhang, Ting-Yu; Lin, Jun-Bing; Li, Quan-Zhe; Kang, Jun-Chen; Pan, Jin-Long; Hou, Si-Hua; Chen, Chao; Zhang, Shu-Yu Copper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids. Organic letters, 2017, 19, 1764-1767
1545573	CIF	C24 H27 N3 O6	P 1 21/n 1	10.4886; 20.6885; 10.5508 90; 96.517; 90	2274.7	Wang, Chunyu; Wang, Zhonglei; Xie, Xiaoni; Yao, Xiaotong; Li, Guang; Zu, Liansuo Total Synthesis of (±)-Grandilodine B. Organic letters, 2017, 19, 1828-1830
1545574	CIF	C11 H15 N O4	P 21 21 21	7.0297; 10.925; 15.255 90; 90; 90	1171.6	Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun Synthesis of the ABC Tricyclic System of Daphnicyclidin A. Organic letters, 2017, 19, 1497-1499
1545575	CIF	C14 H19 N O2	P 1 21 1	6.399; 11.401; 8.532 90; 91.285; 90	622.3	Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun Synthesis of the ABC Tricyclic System of Daphnicyclidin A. Organic letters, 2017, 19, 1497-1499
1545576	CIF	C22 H20 N2 O3	P 1 21/n 1	14.062; 7.4549; 18.2784 90; 104.22; 90	1857.43	Ketels, Marthe; Konrad, David B.; Karaghiosoff, Konstantin; Trauner, Dirk; Knochel, Paul Selective Lithiation, Magnesiation, and Zincation of Unsymmetrical Azobenzenes Using Continuous Flow Organic Letters, 2017
1545577	CIF	C16 H13 Cl4 I N2	P -1	8.1132; 10.9951; 11.565 63.992; 87.106; 77.999	905.95	Ketels, Marthe; Konrad, David B.; Karaghiosoff, Konstantin; Trauner, Dirk; Knochel, Paul Selective Lithiation, Magnesiation, and Zincation of Unsymmetrical Azobenzenes Using Continuous Flow Organic Letters, 2017
1545578	CIF	C11 H16 Br3 F N2	P 1 21/m 1	5.6232; 22.4248; 5.8554 90; 93.3206; 90	737.12	Rosokha, Sergiy V. Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding Faraday Discussions, 2017, 203, 315-332
1545579	CIF	C18 H24 Br12 N6 O4	P 1 21/c 1	14.0422; 5.9462; 20.4996 90; 93.4347; 90	1708.6	Rosokha, Sergiy V. Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding Faraday Discussions, 2017, 203, 315-332
1545580	CIF	C7 H10 O5	P 21 21 21	7.5659; 9.9805; 10.2418 90; 90; 90	773.37	Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose Polym. Chem., 2017, 8, 2093
1545581	CIF	C7 H10 O5	P 21 21 21	5.8577; 11.0062; 11.8828 90; 90; 90	766.096	Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose Polym. Chem., 2017, 8, 2093
1545582	CIF	C19 H24 O4 S	P 1 21/c 1	12.7908; 23.3516; 13.99502 90; 117.098; 90	3721.26	Górski, Bartosz; Talko, Alicja; Basak, Tymoteusz; Barbasiewicz, Michał Olefination with Sulfonyl Halides and Esters: Scope, Limitations, and Mechanistic Studies of the Hawkins Reaction Organic Letters, 2017
1545583	CIF	C22 H17 Br O2 S	P 1 21/n 1	11.9012; 9.9211; 17.3067 90; 107.562; 90	1948.21	Yugandar, Somaraju; Konda, Saidulu; Ila, Hiriyakkanavar Synthesis of Substituted Benzo[b]thiophenes via Sequential One-Pot, Copper-Catalyzed Intermolecular C–S Bond Formation and Palladium-Catalyzed Intramolecular Arene–Alkene Coupling of Bis(het)aryl/alkyl-1,3-monothiodiketones and o-Bromoiodoarenes Organic Letters, 2017
1545584	CIF	C27 H29 Co2 N7 O	P 21 21 21	10.717; 15.289; 15.415 90; 90; 90	2525.8	Desai, Sai Puneet; Malonzo, Camille; Webber, Thomas; Duan, Jiaxin; Thompson, Anthony B.; Tereniak, Stephen J.; DeStefano, Matthew R.; Buru, Cassandra T.; Li, Zhanyong; Penn, R. Lee; Farha, Omar; Hupp, J. T.; Stein, Andreas; Lu, Connie Assembly of Dicobalt and Cobalt-Aluminum Oxide Clusters on Metal-Organic Framework and Nanocast Silica Supports Faraday Discuss., 2017
1545585	CIF HKL Paper	C15 H14 O4	P 1 21/c 1	7.5629; 8.205; 20.587 90; 91.147; 90	1277.2	Jiang, Yidong; Wang, Yifeng Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate IUCrData, 2017, 2, x170395
1545586	CIF HKL Paper	C23 H32 N2 O	P 1 21/c 1	22.8029; 9.9908; 9.3304 90; 90.247; 90	2125.6	Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G. 4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol IUCrData, 2017, 2, x170396
1545587	CIF HKL Paper	C14 H20 N4 Si2	P 1 21/n 1	9.8504; 8.5234; 10.312 90; 109.673; 90	815.25	Li, Rui; Duan, Xin-E; Cao, Wei; Wei, Xue-Hong A pyridyl-substituted cyclodisilazane [(Apy)~2~(μ-SiMe)~2~] (ApyH~2~ = 2-aminopyridine) IUCrData, 2017, 2, x170400
1545588	CIF	C26 H12 N4 S2	P -1	7.1933; 8.0044; 9.0183 81.181; 89.31; 87.721	512.7	Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017
1545589	CIF	C26 H10 F2 N4 S2	P -1	7.1608; 7.9489; 9.1084 80.928; 89.567; 87.878	511.62	Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017
1545590	CIF	C26 H10 F2 N4 Se2	P -1	7.1911; 8.039; 9.156 80.96; 89.226; 88.727	522.6	Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017
1545591	CIF	C26 H8 F4 N4 S2	P 1 21/c 1	7.9628; 7.062; 19.111 90; 99.328; 90	1060.5	Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017
1545592	CIF	C26 H26 N2 O5 S	P 1 21 1	12.2554; 15.2305; 13.7518 90; 109.929; 90	2413.1	Kondoh, Azusa; Kamata, Yuji; Terada, Masahiro Synthesis of Enantioenriched γ-Amino-α,β-unsaturated Esters Utilizing Palladium-Catalyzed Rearrangement of Allylic Carbamates for Direct Application to Formal [3 + 2] Cycloaddition Organic Letters, 2017
1545593	CIF	C11 H12 In N O7	P 1 21/c 1	8.0483; 7.2282; 24.2472 90; 93.708; 90	1407.62	Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J. In-MOFs based on amide functionalised flexible linkers Faraday Discuss., 2017
1545594	CIF	C12 H11 In N2 O7	P -1	7.2372; 10.1596; 11.8645 77.815; 78.748; 85.773	835.84	Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J. In-MOFs based on amide functionalised flexible linkers Faraday Discuss., 2017
1545595	CIF	C39 H51 O3 P	P -1	10.8957; 13.0496; 13.9607 101.403; 109.481; 104.921	1718.4	Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers Chem. Sci., 2017, 8, 3913
1545596	CIF	C39 H51 O3 P	P 1 21/c 1	10.2109; 18.659; 35.308 90; 94.153; 90	6709.4	Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers Chem. Sci., 2017, 8, 3913
1545597	CIF	C30 H32 Br6 Fe N6 O4 Re	P -1	8.0539; 10.665; 11.0535 105.576; 101.89; 93.681	887.72	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545598	CIF	C38 H44 Cl6 Co N10 O4 Re	P 1 21/c 1	13.5159; 11.114; 15.7455 90; 110.854; 90	2210.28	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545599	CIF	C30 H32 Br6 Co N6 O4 Re	P -1	8.1009; 10.7229; 10.9708 106.156; 101.328; 93.673	890.35	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545600	CIF	C38 H44 Cl6 Co N10 O4 Re	P 1 21/c 1	13.4707; 11.3978; 15.6234 90; 110.044; 90	2253.47	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545601	CIF	C23 H28 Cl6 N7 Ni O2 Re	P b c a	16.0287; 18.8615; 22.0793 90; 90; 90	6675.1	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545602	CIF	C38 H44 Cl6 Co N10 O4 Re	P 1 21/c 1	13.5101; 11.2475; 15.7037 90; 110.536; 90	2234.61	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545603	CIF	C30 H32 Cl6 Fe N6 O4 Re	P -1	7.9831; 10.5052; 10.789 106.255; 103.909; 92.852	836.49	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545604	CIF	C27 H34 Br6 N9 Ni O2 Re	P 1 21/c 1	11.3999; 23.9868; 14.3655 90; 91.166; 90	3927.4	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545605	CIF	C34 H38 Cl6 Co N8 O4 Re	P -1	8.09457; 10.9775; 11.5719 80.2539; 78.1007; 88.8645	991.52	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545606	CIF	C30 H32 Br6 Cu N6 O4 Re	P -1	8.07321; 10.811; 11.0629 107.144; 100.37; 93.917	899.99	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545607	CIF	C30 H32 Cl6 Cu N6 O4 Re	P -1	8.0389; 10.6038; 10.824 107.565; 102.333; 93.278	851.99	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259
1545608	CIF	C124 H270 Ag41 Cr2 N7 O17 S30	R -3 c	22.6491; 22.6491; 71.0014 90; 90; 120	31542.7	Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate. Nanoscale, 2017, 9, 5305-5314
1545609	CIF	C50 H98 Ag20 Cr5 F12 N4 O30 S10	P 62	17.5994; 17.5994; 29.2422 90; 90; 120	7844	Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate. Nanoscale, 2017, 9, 5305-5314
1545610	CIF	C288 H340 Ag47 Cr4 F54 N4 O56 S24	F d d d	47.992; 50.873; 64.857 90; 90; 90	158348	Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate. Nanoscale, 2017, 9, 5305-5314
1545611	CIF	C114 H240 Ag40 Cr5 F9 O26 S27	C 1 2/c 1	32.963; 28.784; 21.7978 90; 96.6012; 90	20544.8	Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate. Nanoscale, 2017, 9, 5305-5314
1545612	CIF	C50 H98 Ag20 Cr5 F12 N4 O30 S10	P 64	17.603; 17.603; 29.2412 90; 90; 120	7846.9	Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate. Nanoscale, 2017, 9, 5305-5314
1545613	CIF	C29 H26 N P Pt	P -1	9.1117; 11.229; 12.539 95.86; 103.5; 102.41	1202.6	Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane New Journal of Chemistry, 2017, 41, 3798-3810
1545614	CIF	C27 H26 N P Pt	P 1 21/n 1	9.759; 10.351; 23.222 90; 100.86; 90	2303.8	Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane New Journal of Chemistry, 2017, 41, 3798-3810
1545615	CIF	C30 H26 N P Pt	P 1 21/c 1	9.6029; 13.097; 19.63 90; 100.17; 90	2430.1	Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane New Journal of Chemistry, 2017, 41, 3798-3810
1545616	CIF	C42 H44 Fe2 N4 O2 S2	P 21 21 21	7.615; 9.703; 52 90; 90; 90	3842	Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers New J. Chem., 2017, 41, 3333
1545617	CIF	C30 H32 Fe2 N4 O2 S2	P 21 21 21	9.707; 14.545; 20.921 90; 90; 90	2953.8	Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers New J. Chem., 2017, 41, 3333
1545618	CIF	C30 H32 Fe2 N4 O2 S2	P 21 21 21	9.7134; 14.5357; 20.8935 90; 90; 90	2950	Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers New J. Chem., 2017, 41, 3333
1545619	CIF	C112 H72 Br8 N16 Ni3 O16	P 1 2/n 1	19.3; 14.581; 24.167 90; 94.227; 90	6782	He, Xiaohui; Deng, Yingjiao; Jiang, Xiong; Wang, Zijie; Yang, Yingping; Han, Zhilong; Chen, Defu Copolymerization of norbornene and butyl methacrylate at elevated temperatures by a single centre nickel catalyst bearing bulky bis(α-diimine) ligand with strong electron-withdrawing groups Polym. Chem., 2017, 8, 2390
1545620	CIF HKL Paper	C14 H14 N2 O4	P -1	7.1675; 8.8143; 10.6613 91.968; 96.362; 94.745	666.46	Sivakumar, P.; Anzline, C.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G. 2-Amino-3-methylpyridinium hydrogen phthalate IUCrData, 2017, 2, x170422
1545621	CIF HKL Paper	C16 H12 N2 O3 S	P 1 21/n 1	7.3834; 11.7331; 16.9144 90; 101.731; 90	1434.69	Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T. 1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1<i>H</i>-indole-2,3-dione IUCrData, 2017, 2, x170315
1545622	CIF HKL	C17 H24 Cl2	P 21 21 21	6.5995; 13.4865; 18.2435 90; 90; 90	1623.75	Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha (1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene IUCrData, 2017, 2, x170421
1545623	CIF HKL Paper	C22 H23 Cl N2 O2 S	P -1	9.4083; 9.514; 12.7168 86.863; 79.175; 71.222	1058.5	Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. 7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUCrData, 2017, 2, x170390
1545624	CIF	K2 O15 Si6 Ti	P 1 21 1	6.916; 12.812; 7.661 90; 106.25; 90	651.7	Xiaodong Zou; Mike S. Dadachov A New Mixed Framework Compound with Corrugated [Si6O15] Layers: K2TiSi6O15 Journal of Solid State Chemistry, 2001, 156, 135-142
1545625	CIF	Al F5 Sr	P 1 21/n 1	8.9574; 7.4614; 10.7212 90; 94.158; 90	714.66	Matthias Weil; Erich Zobetz; Franz Werner; Frank Kubel New alkaline earth aluminium fluorides with the formula (M1, M2)AlF5 (M1, M2 = Ca, Sr, Ba) Solid State Sciences, 2001, 3, 441-453
1545626	CIF	Al Ca0.33 F5 Sr0.67	I 41/a :2	19.7345; 19.7345; 14.1982 90; 90; 90	5529.5	Matthias Weil; Erich Zobetz; Franz Werner; Frank Kubel New alkaline earth aluminium fluorides with the formula (M1, M2)AlF5 (M1, M2 = Ca, Sr, Ba) Solid State Sciences, 2001, 3, 441-453
1545627	CIF	Al Ba F5	P -1	5.2146; 7.3933; 14.946 79.365; 88.525; 88.183	565.92	Matthias Weil; Erich Zobetz; Franz Werner; Frank Kubel New alkaline earth aluminium fluorides with the formula (M1, M2)AlF5 (M1, M2 = Ca, Sr, Ba) Solid State Sciences, 2001, 3, 441-453
1545628	CIF	Ba F5 Ti	I 4/m	15.091; 15.091; 7.67 90; 90; 90	1746.8	Eicher, S. M.; Greedan, J. E. Crystal structures and magnetic properties of BaTiF5 and CaTiF5 Journal of Solid State Chemistry, 1984, 52, 12-21
1545629	CIF	Ca F5 Ti	I 1 2/c 1	9.08; 6.614; 7.696 90; 115.16; 90	418.3	Eicher, S. M.; Greedan, J. E. Crystal structures and magnetic properties of BaTiF5 and CaTiF5 Journal of Solid State Chemistry, 1984, 52, 12-21
1545630	CIF	C17 H13 N O2	P 1 21/c 1	8.366; 21.114; 7.4894 90; 111.841; 90	1228	Jeganmohan, Masilamani; Reddy, Mallu Chenna Total Synthesis of Aristolactam Alkaloids via Synergistic C-H Bond Activation and Dehydro-Diels-Alder Reactions Chem. Sci., 2017
1545631	CIF	C36 H28 F3 Fe I2 N4 O6 S	P -1	12.2308; 12.6838; 13.0436 83.137; 68.061; 70.096	1764.77	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545632	CIF	C36 H28 F3 Fe I2 N4 O6 S	P -1	12.4864; 12.4925; 13.6444 65.751; 82.594; 69.191	1813.6	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545633	CIF	C35 H26 F3 Fe I2 N4 O6 S	P -1	12.43; 12.336; 13.183 111.83; 99.23; 66.05	1714.8	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545634	CIF	C36 H28 F3 Fe I2 N4 O6 S	P -1	12.4632; 12.6561; 13.365 83.298; 67.3; 69.644	1823	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545635	CIF	C35 H23 F3 Fe I2 N5 O5 S	P -1	12.0127; 12.6193; 13.2123 110.546; 92.31; 111.271	1715.2	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545636	CIF	C35 H26 F3 Fe I2 N4 O6 S	P -1	11.476; 13.0698; 13.4649 71.342; 87.437; 68.674	1776.5	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545637	CIF	C35 H26 F3 Fe I2 N4 O6 S	P -1	11.5003; 13.1342; 13.5498 71.652; 87.488; 68.858	1806.23	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545638	CIF	C35 H26 F3 Fe I2 N4 O6 S	P -1	11.5289; 13.1814; 13.6233 71.947; 87.644; 68.871	1830.2	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545639	CIF	C36 H28 F3 Fe I2 N4 O6 S	P -1	12.232; 12.547; 13.279 81.89; 67.04; 68.25	1742.9	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545640	CIF	C36 H26 F3 Fe I2 N4 O6 S	P -1	10.3759; 12.8053; 13.8091 79.08; 76.267; 86.609	1749.85	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545641	CIF	C36 H26 F3 Fe I2 N4 O6 S	P -1	10.3585; 12.9759; 14.1074 78.558; 76.606; 86.265	1807.59	Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949
1545642	CIF	C23 H30 N2 O5	P 1 21/c 1	12.0803; 14.827; 13.7314 90; 114.984; 90	2229.35	Liu, Shunying; Jiang, Jun; Chen, Jianghui; Wei, Qinghua; Yao, Wenfeng; Xia, Fei; Hu, Wenhao A DFT Calculation-inspiring Rh(I)-catalyzed Reaction via Suppression of α-H Shift in α-Alkyldiazoacetates Chem. Sci., 2017
1545643	CIF	K La Nb2 O7	C 2 2 2	3.906; 21.603; 3.8879 90; 90; 90	328.066	Sato, M.; Abo, J.; Jin, T.; Ohta, M. Structure determination of KLaNb2O7 exhibiting ion exchange ability by X-ray powder diffraction Solid State Ionics, 1992, 51, 85-89
1545644	CIF	La Na Nb2 O7	I 4/m m m	3.9022; 3.9022; 21.1826 90; 90; 90	322.551	Sato, M.; Abo, J.; Jin, T. Structure examination of NaLaNb2O7 synthesized by soft chemistry Solid State Ionics, 1992, 57, 285-293
1545645	CIF	H3.2 La Na Nb2 O8.6	I 4 m m	3.8981; 3.8981; 25.7131 90; 90; 90	390.72	Sato, M.; Abo, J.; Jin, T. Structure examination of NaLaNb2O7 synthesized by soft chemistry Solid State Ionics, 1992, 57, 285-293
1545646	CIF	Ga2 H11 O13 P3	P 1 21 1	8.0947; 10.0336; 7.6711 90; 111.392; 90	580.12	Morris, Russell E.; Harrison, William T. A.; Nicol, Jacqueline M.; Wilkinson, Angus P.; Cheetham, Anthony K. Determination of complex structures by combined neutron and synchrotron X-ray powder diffraction Nature, 1992, 359, 519-522
1545647	CIF HKL Paper	C11 H11 N3 O4	P 1 21/c 1	12.6867; 21.7492; 8.1393 90; 90.772; 90	2245.64	Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. Ethyl 2-(6-nitro-1<i>H</i>-indazol-1-yl)acetate IUCrData, 2017, 2, x170432
1545648	CIF HKL	C10 H10 N2 O S	P 1 21/c 1	17.57; 6.3994; 8.869 90; 95.641; 90	992.4	El Ouassif, Latifa; El Ghoul, Mostafa; Achour, Redouane; Saadi, Mohamed; El Ammari, Lahcen 3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol IUCrData, 2017, 2, x170429
1545649	CIF HKL Paper	C15 H10 Br2 N2 O	P -1	7.8931; 9.9295; 10.2411 101.751; 105.968; 109.482	687.77	Essaghouani, Abdelhanine; Boulhaoua, Mohammed; Lahmidi, Sanae; Mohamed Abdelahi, Mohamed Mokhtar; Essassi, El Mokhtar; Mague, Joel T. (3<i>S</i>)-3,8-Dibromo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazapin-2-one IUCrData, 2017, 2, x170389
1545650	CIF HKL Paper	C20 H16 Cl N O2	P -1	7.412; 10.963; 11.07 105.124; 95.633; 104.398	828.2	Preveena, Narasimhamurthy; Hosamani, Amar A.; Praveen, Managutti; Nagendrappa, Gopalpur; Guru Row, Tayur N. <i>cis</i>-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](<i>p</i>-tolyl)methanone IUCrData, 2017, 2, x170434
1545651	CIF HKL Paper	C17 H18 Br N O5	P 21 21 21	7.704; 9.325; 25.54 90; 90; 90	1834.8	Meng, Chen-Hong; Xia, Ai-Bao <i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate IUCrData, 2017, 2, x170412
1545652	CIF HKL Paper	C8 H8 N Na O7 S	P -1	7.4526; 7.9888; 10.692 85.916; 80.181; 65.237	569.6	Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R. Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium] IUCrData, 2017, 2, x170440
1545653	CIF	Al15 La3 O37 Ti5	C 1 c 1	22.5655; 10.9863; 9.7189 90; 98.569; 90	2382.53	Russell E. Morris; Jonathan J. Owen; Judith K. Stalick; Anthony K. Cheetham Determination of Complex Structures from Powder Diffraction Data: The Crystal Structure of La3Ti5Al15O37 Journal of Solid State Chemistry, 1994, 111, 52-57
1545654	CIF	C11 H14 O4	P -1	8.86; 10.405; 18.908 100.08; 94.73; 99.66	1680.6	Liu, Wei; Ren, Wenlong; Li, Jingfu; Shi, Yuan; Chang, Wenju; Shi, Yian A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid. Organic letters, 2017, 19, 1748-1751
1545655	CIF	K3 O14 P2 Sb3	R -3 m :H	7.147; 7.147; 30.936 90; 90; 120	1368.5	Y. Piffard; A. Lachgar; M. Tournoux Structure cristalline du phosphatoantimonate K3Sb3P2O14 Journal of Solid State Chemistry, 1985, 58, 253-256
1545656	CIF	C37 H29 Br N2 O2	P 1 21 1	10.0039; 11.6625; 25.912 90; 94.479; 90	3013.9	Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles]. Organic letters, 2017, 19, 1862-1865
1545657	CIF	C41 H39 Br N2 O3	P 1 21 1	12.4503; 9.3115; 15.1532 90; 103.909; 90	1705.22	Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles]. Organic letters, 2017, 19, 1862-1865
1545658	CIF	C17 H30 N O5	P 1 2/n 1	17.1821; 6.16924; 17.8483 90; 106.502; 90	1814	Garmendia, Sofiem; Mantione, Daniele; Alonso-de Castro, Silvia; Jehanno, Coralie; Lezama, Luis; Hedrick, James L.; Mecerreyes, David; Salassa, Luca; Sardon, Haritz Polyurethane based organic macromolecular contrast agents (PU-ORCAs) for magnetic resonance imaging Polym. Chem., 2017, 8, 2693
1545659	CIF	C28 H32 O	P 1 21 1	10.429; 8.033; 13.269 90; 95.243; 90	1107	Shen, Yangyong; Huang, Bo; Zheng, Jing; Lin, Chen; Liu, Yu; Cui, Sunliang Csp-Csp(3) Bond Formation via Iron(III)-Promoted Hydroalkynylation of Unactivated Alkenes. Organic letters, 2017, 19, 1744-1747
1545660	CIF	C39 H44 Br N O6 S Si	P 1 21 1	6.04388; 22.18157; 13.72525 90; 92.9646; 90	1837.58	Milde, Bastian; Pawliczek, Martin; Jones, Peter G.; Werz, Daniel B. Enantioselective Total Synthesis of (+)-Lysergol: A Formal anti-Carbopalladation/Heck Cascade as the Key Step Organic Letters, 2017
1545661	CIF	C18 H26 O5	P 1 21/c 1	13.7608; 7.3158; 17.9639 90; 104.13; 90	1753.73	Xiao, Zheming; Li, Yayue; Gao, Shuanhu Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A. Organic letters, 2017, 19, 1834-1837
1545662	CIF	C32 H34 O10	P 21 21 21	7.1873; 16.9756; 26.5949 90; 90; 90	3244.8	Xiao, Zheming; Li, Yayue; Gao, Shuanhu Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A. Organic letters, 2017, 19, 1834-1837
1545663	CIF	C18 H24 O6	P -1	7.7914; 8.255; 16.9969 92.455; 97.868; 111.507	1002.4	Xiao, Zheming; Li, Yayue; Gao, Shuanhu Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A. Organic letters, 2017, 19, 1834-1837
1545664	CIF	C24 H23 B N2 O	P -1	8.875; 10.93; 11.258 112.189; 98.039; 93.399	993.7	Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence. Organic letters, 2017, 19, 2026-2029
1545665	CIF	C16 H13 B F2 O2	P b c a	8.2331; 13.1144; 25.5836 90; 90; 90	2762.3	Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides Photochem. Photobiol. Sci., 2017
1545666	CIF	C17 H15 B F2 O2	P 1 21/a 1	14.2946; 14.013; 15.2327 90; 104.76; 90	2950.6	Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides Photochem. Photobiol. Sci., 2017
1545667	CIF	C16 H13 B F2 O2	P 1 21/c 1	7.1998; 14.199; 14.276 90; 102.928; 90	1422.4	Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides Photochem. Photobiol. Sci., 2017
1545668	CIF	C15 H17 N5 O	P 1 21/n 1	9.956; 7.274; 21.198 90; 91.92; 90	1534.3	Peng, Lu; Xu, Shidang; Zheng, Xiaokun; Cheng, Xiamin; Zhang, Ruoyu; Liu, Jie; Liu, Bin; Tong, Aijun Rational Design of a Red-Emissive Fluorophore with AIE and ESIPT Characteristics and Its Application in Light-Up Sensing of Esterase. Analytical chemistry, 2017, 89, 3162-3168
1545669	CIF	C33 H21 F6 N4 Ni P	P c c a	21.052; 9.434; 29.833 90; 90; 90	5925	Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A. Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers Organic Letters, 2017
1545670	CIF	C35 H26 N4 O3 Pd	P 1 21/n 1	8.9811; 11.1167; 27.2624 90; 99.056; 90	2687.95	Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A. Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers Organic Letters, 2017
1545671	CIF	C33 H21 Cl0 F6 N4 P Pd	P c c a	21.0949; 9.3501; 30.015 90; 90; 90	5920.1	Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A. Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers Organic Letters, 2017
1545672	CIF	C66 H40 F12 N8 P2 Pd2	P 1 21/c 1	15.541; 30.436; 12.894 90; 99.353; 90	6018	Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A. Syntheses of Bipyricorroles and Their Meso–Meso Coupled Dimers Organic Letters, 2017
1545673	CIF	Al6 O16 S Sr4	P c c 2	13.3231; 13.3242; 9.37918 90; 90; 90	1664.99	Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K. Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 298 K Journal of the Ceramic Society of Japan, 2017, 125, 364-370
1545674	CIF	Al6 O16 S Sr4	I 2 3	9.42561; 9.42561; 9.42561 90; 90; 90	837.391	Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K. Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 573 K Journal of the Ceramic Society of Japan, 2017, 125, 364-370
1545675	CIF	C25 H27 Cl F N O6	C 1 2/c 1	27.621; 11.002; 15.786 90; 102.12; 90	4690	Lee, Hung Lin; Vasoya, Jaydip M.; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T. M. Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder. Molecular pharmaceutics, 2017, 14, 1278-1291
1545676	CIF	Fe Li O6 Si2	C 1 2/c 1	9.66794; 8.67141; 5.29192 90; 110.094; 90	416.641	Ishida, N.; Sakatsume, K.; Kitamura, N.; Idemoto, Y. Improvement of electrochemical property of pyroxene-type LiFeSi2O6 and crystal-structure analysis Journal of the Ceramic Society of Japan, 2017, 125, 281-286
1545677	CIF	C21 H18 O2	P 21 21 21	9.8614; 11.994; 13.532 90; 90; 90	1600.5	Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P. Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates. Organic letters, 2017, 19, 1306-1309
1545678	CIF	C32 H38 Cs K2 O6	P -1	9.8938; 13.3712; 15.521 64.492; 78.484; 71.755	1755	Spisak, Sarah N.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Filatov, Alexander S.; Clérac, Rodolphe; Petrukhina, Marina A. Tuning the separation and coupling of corannulene trianion-radicals through sizable alkali metal belts Chem. Sci., 2017, 8, 3137
1545679	CIF	C16 H13 Cl N3 O4 Re	P 1 21/c 1	11.1768; 17.5414; 9.0952 90; 92.607; 90	1781.3	Chabolla, S. A.; Machan, C. W.; Yin, J.; Dellamary, E. A.; Sahu, S.; Gianneschi, N. C.; Gilson, M. K.; Tezcan, F. A.; Kubiak, C. P. Bio-inspired CO2 reduction by a rhenium tricarbonyl bipyridine-based catalyst appended to amino acids and peptidic platforms: incorporating proton relays and hydrogen-bonding functional groups Faraday Discuss., 2017
1545680	CIF Paper	C14 H10 Cl2 N2 O2	P -1	8.4492; 9.1167; 9.1545 81.461; 77.033; 80.551	673.27	Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4
1545681	CIF Paper	C14 H10 Cl2 N2 O2	P -1	8.3558; 12.7516; 13.0135 78.05; 77.167; 88.734	1322.24	Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4
1545682	CIF Paper	C14 H10 Cl2 N2 O2	P -1	7.2798; 13.2794; 14.5473 87.618; 80.816; 75.707	1345.3	Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4
1545683	CIF	C14 H10 Cl2 N2 O2	P -1	7.4309; 13.296; 14.694 87.6; 80.034; 75.859	1386.5	Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4
1545684	CIF	C14 H10 Br2 N2 O2	P -1	8.3928; 9.2815; 9.3877 81.62; 75.049; 81.589	694.45	Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4
1545685	CIF	C14 H10 I2 N2 O2	P -1	8.4678; 9.6066; 9.6522 81.239; 84.45; 72.336	738.36	Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4
1545686	CIF	C23 H24 F5 N O	P 1 21/c 1	14.853; 7.5783; 19.985 90; 101.843; 90	2201.6	Zhao, Qun; Tognetti, Vincent; Joubert, Laurent; Besset, Tatiana; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Poisson, Thomas Palladium-Catalyzed Synthesis of 3-Trifluoromethyl-Substituted 1,3-Butadienes by Means of Directed C-H Bond Functionalization. Organic letters, 2017, 19, 2106-2109
1545687	CIF	C23 H20 Br2 N2 Ni O2	P 41	9.4823; 9.4823; 24.418 90; 90; 90	2195.5	Suzuki, Naoyuki; Hofstra, Julie L.; Poremba, Kelsey E.; Reisman, Sarah E. Nickel-Catalyzed Enantioselective Cross-Coupling of N-Hydroxyphthalimide Esters with Vinyl Bromides. Organic letters, 2017, 19, 2150-2153
1545688	CIF	C95 H112 B2 Cl6 F8 Ir2 N10 S2	P 1 21/c 1	21.1207; 11.2623; 22.7007 90; 114.329; 90	4920.2	Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A. A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights Chem. Sci., 2017
1545689	CIF	C42 H53 B F4 Ir N5	P b c a	20.444; 18.957; 20.8205 90; 90; 90	8069.1	Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A. A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights Chem. Sci., 2017
1545690	CIF	C49 H57 B Cl2 F4 Ir N5	P -1	11.1839; 11.2131; 19.4442 89.534; 80.579; 85.221	2397.1	Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A. A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights Chem. Sci., 2017
1545691	CIF	C65 H50 Br2 N2 Ni	C 1 c 1	10.302; 19.2; 25.761 90; 93.99; 90	5083.1	Wang, Xinxin; Fan, Linlin; Ma, Yanping; Guo, Cunyue; Solan, Gregory; Sun, Yang; Sun, Wen Hua Elastomeric polyethylenes accessible via ethylene homo-polymerization using an unsymmetrical α-diimino-nickel catalyst Polym. Chem., 2017
1545692	CIF	C69 H58 Br2 N2 Ni	P 1 21/c 1	15.579; 20.196; 21.046 90; 94.22; 90	6604	Wang, Xinxin; Fan, Linlin; Ma, Yanping; Guo, Cunyue; Solan, Gregory; Sun, Yang; Sun, Wen Hua Elastomeric polyethylenes accessible via ethylene homo-polymerization using an unsymmetrical α-diimino-nickel catalyst Polym. Chem., 2017
1545693	CIF	C34 H37 N O11	P 21 21 21	8.2479; 13.1646; 28.6827 90; 90; 90	3114.38	Wang, Guo-Cai; Fan, Yao-Yue; Shyaula, Sajan L.; Yue, Jian-Min Triconoids A–D, Four Limonoids Possess Two Rearranged Carbon Skeletons from Trichilia connaroides Organic Letters, 2017
1545694	CIF	C24 H23 N O	P n a 21	11.5218; 9.9089; 16.3736 90; 90; 90	1869.35	Dhungana, Roshan K.; Shrestha, Bijay; Thapa-Magar, Rajani; Basnet, Prakash; Giri, Ramesh Pd-Catalyzed Regioselective 1,2-Dicarbofunctionalization of Unactivated Olefins by a Heck Reaction/Enolate Cyclization Cascade. Organic letters, 2017, 19, 2154-2157
1545695	CIF	C20 H14 Br2 O2	P -1	6.9626; 11.1199; 11.382 75.755; 89.506; 83.992	849.3	Corici, Livia; Sova, Sergiu; Badea, Valentin; Aparaschivei, Diana; Costisor, Otilia; Cseh, Liliana Investigations on photochromic properties of 2,6-bis(5-bromo-2-hydroxybenzylidene)cyclohexanone Photochem. Photobiol. Sci., 2017
1545696	CIF	C20 H15.75 Br2 Cl O6.38	P 1 21 1	13.2991; 20.2762; 15.0236 90; 91.184; 90	4050.3	Corici, Livia; Sova, Sergiu; Badea, Valentin; Aparaschivei, Diana; Costisor, Otilia; Cseh, Liliana Investigations on photochromic properties of 2,6-bis(5-bromo-2-hydroxybenzylidene)cyclohexanone Photochem. Photobiol. Sci., 2017
1545697	CIF	C22 H18 F6 N4 S2	P -1	9.9804; 10.4605; 12.323 79.674; 72.628; 78.533	1193.4	Wei, Fang; Zhou, Tong; Ma, Yudao; Tung, Chen-Ho; Xu, Zhenghu Bench-Stable 5-Stannyl Triazoles by a Copper(I)-Catalyzed Interrupted Click Reaction: Bridge to Trifluoromethyltriazoles and Trifluoromethylthiotriazoles. Organic letters, 2017, 19, 2098-2101
1545698	CIF	C28 H20 Co4 F12 N4 O12	I -4 3 d	22.0726; 22.0726; 22.0726 90; 90; 90	10753.8	Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation Chem. Sci., 2017
1545699	CIF	C50 H46 Co4 N10 O8	P -4 21 c	11.6403; 11.6403; 17.0402 90; 90; 90	2308.89	Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation Chem. Sci., 2017
1545700	CIF	C42 H39 Co4 N9 O11	P 1 21/c 1	10.785; 32.382; 12.34 90; 102.579; 90	4206.2	Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation Chem. Sci., 2017
1545701	CIF	C28 H26 Co4 F6 N4 O12	P b c a	19.215; 17.7981; 19.7244 90; 90; 90	6745.6	Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation Chem. Sci., 2017
1545702	CIF	C50 H46 Co4 N14 O8	P 1 21/c 1	12.5503; 16.0178; 24.6472 90; 96.307; 90	4924.8	Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation Chem. Sci., 2017
1545703	CIF	C31 H34 Cl10 Co4 N4 O12	P 1 21/n 1	15.022; 15.858; 19.859 90; 110; 90	4445	Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation Chem. Sci., 2017
1545704	CIF	C44 H64 Co4 N12 O12	P 1 21/c 1	13.7564; 18.978; 19.902 90; 94.209; 90	5181.8	Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation Chem. Sci., 2017
1545705	CIF	C9 H8 B F3 N2 O Te	P -1	6.7368; 8.2186; 11.478 109.16; 92.23; 106.25	570.3	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017
1545706	CIF	C25 H20 B F3 N O P Te	P 1 21/c 1	10.117; 13.3307; 20.4052 90; 99.848; 90	2711.4	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017
1545707	CIF	C15 H13 B F3 N2 O Te	C 1 2/c 1	24.5091; 6.9948; 21.1123 90; 119.654; 90	3145.4	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017
1545708	CIF	C10 H9 B F3 N O Te	P 1 21/n 1	8.027; 7.1053; 19.994 90; 95.552; 90	1135	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017
1545709	CIF	C34 H41 B F3 N3 O Te	P 1 21/n 1	10.7711; 16.584; 19.77 90; 102.005; 90	3454.2	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017
1545710	CIF	C28 H24 B N O Te	P 1 21/c 1	10.109; 9.698; 23.678 90; 101.817; 90	2272.1	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017
1545711	CIF	C88 H108 B2 F6 N6 O3 Te2	P 1 n 1	12.2007; 20.9116; 17.3413 90; 107.773; 90	4213.2	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017
1545712	CIF	C18 H20 B Cl3 F3 N3 O Te	P 1 21 1	10.2886; 15.0565; 14.7817 90; 91.156; 90	2289.37	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017
1545713	CIF	C20 H18 B F3 N2 O2 Te2	P 1 21 1	7.2898; 13.3035; 11.561 90; 104.61; 90	1084.9	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017
1545714	CIF	C12 H12 N2 O S	P 1 21 1	5.2322; 10.0668; 10.7671 90; 102.13; 90	554.46	Tan, Wei; Wei, Jianpeng; Jiang, Xuefeng Thiocarbonyl Surrogate via Combination of Sulfur and Chloroform for Thiocarbamide and Oxazolidinethione Construction. Organic letters, 2017, 19, 2166-2169
1545715	CIF	La3 Li6.5 O12 Sn1.5 Ta0.5	I a -3 d	12.90227; 12.90227; 12.90227 90; 90; 90	2147.82	Hamao, N.; Kataoka, K.; Akimoto, J. Li-ion conductivity and crystal structure of garnet-type Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides Journal of the Ceramic Society of Japan, 2017, 125, 272-275
1545716	CIF	Hf1.5 La3 Li6.5 O12 Ta0.5	I a -3 d	12.93341; 12.93341; 12.93341 90; 90; 90	2163.41	Hamao, N.; Kataoka, K.; Akimoto, J. Li-ion conductivity and crystal structure of garnet-type Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides Journal of the Ceramic Society of Japan, 2017, 125, 272-275
1545717	CIF	C17 H15 Cl F3 N O2 S	P 21 21 21	6.2323; 9.6926; 29.7861 90; 90; 90	1799.29	Han, Hong Sik; Lee, Young Jin; Jung, Young-Sik; Han, Soo Bong Stereoselective Photoredox-Catalyzed Chlorotrifluoromethylation of Alkynes: Synthesis of Tetrasubstituted Alkenes. Organic letters, 2017, 19, 1962-1965
1545718	CIF	C15 H17 N O4	P 1 21/n 1	12.199; 16.5906; 14.486 90; 90.586; 90	2931.6	Yousuf, Md; Adhikari, Susanta One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles. Organic letters, 2017, 19, 2214-2217
1545719	CIF	C19 H12 N2	P b c a	8.759; 15.074; 21.337 90; 90; 90	2817	Yousuf, Md; Adhikari, Susanta One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles. Organic letters, 2017, 19, 2214-2217
1545720	CIF	C31 H24 O8	P 1 2/n 1	14.117; 8.1361; 22.5808 90; 94.591; 90	2585.2	Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii. Organic letters, 2017, 19, 2142-2145
1545721	CIF	C31 H26 O10	P 1 21 1	8.3894; 14.6187; 10.2645 90; 97.613; 90	1247.76	Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii. Organic letters, 2017, 19, 2142-2145
1545722	CIF	C30 H20 O7	P -1	7.3385; 11.972; 13.1171 91.166; 101.43; 96.569	1121.06	Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii. Organic letters, 2017, 19, 2142-2145
1545723	CIF	C14 H8 S Te	P 1 21/c 1	8.8331; 8.9989; 14.46 90; 95.546; 90	1144	Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)–Zn and C(sp2)–H Bonds Chem. Sci., 2017
1545724	CIF	C14 H8 S Te	P 1 21 1	9.6238; 4.2326; 13.66 90; 98.795; 90	549.88	Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)–Zn and C(sp2)–H Bonds Chem. Sci., 2017
1545725	CIF	C25 H22 O2 Te	P 1 21/n 1	17.6341; 5.3422; 21.002 90; 90.578; 90	1978.4	Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)–Zn and C(sp2)–H Bonds Chem. Sci., 2017
1545726	CIF	C34 H58 Fe2 N2	P 41 21 2	8.9474; 8.9474; 41.253 90; 90; 90	3302.5	Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017
1545727	CIF	C34 H58 Fe2 S4	P -1	10.0731; 12.2254; 16.563 80.822; 77.884; 66.822	1826.58	Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017
1545728	CIF	C34 H58 Fe2 S2	P 1 21/n 1	11.8548; 10.3648; 28.0527 90; 91.796; 90	3445.22	Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017
1545729	CIF	C34 H58 Fe2 Se4	P 1 21/n 1	13.0954; 18.8412; 15.8088 90; 107.643; 90	3717.1	Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017
1545730	CIF	C36 H58 Fe2 N2 O2	P 1 21/n 1	10.3424; 9.2633; 18.3885 90; 91.346; 90	1761.22	Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017
1545731	CIF	C44 H56 Fe N4	P 1 21/n 1	11.35137; 23.7261; 13.9429 90; 93.494; 90	3748.17	Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017
1545732	CIF	C35 H44 Fe I O P	P -1	9.8125; 11.9887; 14.0481 95.729; 90.97; 97.25	1630.5	Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017
1545733	CIF	C20 H29 Fe N O3	P c a 21	15.0303; 10.4122; 12.7073 90; 90; 90	1988.67	Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017
1545734	CIF	C36 H44 Fe N O2 P	P -1	10.7445; 11.3344; 15.2795 109.628; 90.508; 109.886	1632.1	Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017
1545735	CIF	C38 H58 Fe2 O4	P -1	11.0245; 12.0149; 14.7311 93.174; 91.734; 113.619	1782.1	Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017
1545736	CIF	C59 H76 Fe3 N6 O2	P -1	12.5204; 13.0808; 16.5376 77.1659; 87.1605; 84.1531	2626.1	Anderton, Kevin J.; Knight, Brian J.; Rheingold, Arnold L.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J. Reactivity of hydride bridges in a high-spin [Fe3(μ-H)3]3+ cluster: reversible H2/CO exchange and Fe‒H/B‒F bond metathesis Chem. Sci., 2017
1545737	CIF	C45 H63 F3 Fe3 N6	C 1 c 1	20.7273; 11.4948; 21.957 90; 112.429; 90	4835.7	Anderton, Kevin J.; Knight, Brian J.; Rheingold, Arnold L.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J. Reactivity of hydride bridges in a high-spin [Fe3(μ-H)3]3+ cluster: reversible H2/CO exchange and Fe‒H/B‒F bond metathesis Chem. Sci., 2017
1545738	CIF	C21 H22 O7	P 1 21 1	9.68785; 6.62844; 15.2024 90; 103.889; 90	947.69	Hong, Min Jee; Kim, Jinwoong Determination of the Absolute Configuration of Khellactone Esters from Peucedanum japonicum Roots. Journal of natural products, 2017, 80, 1354-1360
1545739	CIF	C18 H21 N O3	P 21 21 21	6.8548; 7.4136; 30.569 90; 90; 90	1553.5	Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence. Organic letters, 2017, 19, 2130-2133
1545740	CIF	C40 H43 F8 I3 N8	P 1 21 1	10.406; 7.8092; 26.717 90; 92.9; 90	2168.3	Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters Faraday Discuss., 2017
1545741	CIF	C64 H89 F8 I3 N6 O2	P -1	14.9747; 18.898; 25.034 87.618; 76.317; 76.576	6694.6	Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters Faraday Discuss., 2017
1545742	CIF	C96 H172 Cl K4 O86	R 3 2 :H	42.8927; 42.8927; 56.6605 90; 90; 120	90277	Hartlieb, Karel J.; Ferris, Daniel P.; Holcroft, James M.; Kandela, Irawati; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser Encapsulation of Ibuprofen in CD-MOF and Related Bioavailability Studies. Molecular pharmaceutics, 2017, 14, 1831-1839
1545743	CIF	C21 H15 N	P 1 21/c 1	9.4624; 9.9524; 16.0483 90; 102.418; 90	1475.97	Kuai, Changsheng; Wang, Lianhui; Li, Bobin; Yang, Zhenhui; Cui, Xiuling Cobalt-Catalyzed Selective Synthesis of Isoquinolines Using Picolinamide as a Traceless Directing Group. Organic letters, 2017, 19, 2102-2105
1545744	CIF	C33 H26 Cl5 D N3 O3	P 21 21 2	16.2146; 22.561; 9.2044 90; 90; 90	3367.1	Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives. Organic letters, 2017, 19, 1954-1957
1545745	CIF	C20 H19 N O2 S	P c a 21	15.6695; 5.5971; 39.2584 90; 90; 90	3443.1	Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit An Organic Intermolecular Dehydrogenative Annulation Reaction. Organic letters, 2017, 19, 2006-2009
1545746	CIF	C19 H13 Br N2 O5 S	P -1	10.752; 12.403; 14.821 103.152; 108.554; 99.041	1767.3	Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit An Organic Intermolecular Dehydrogenative Annulation Reaction. Organic letters, 2017, 19, 2006-2009
1545747	CIF	C15 H12 Br N O2	P 21 21 21	3.927; 16.2999; 19.0048 90; 90; 90	1216.49	Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit An Organic Intermolecular Dehydrogenative Annulation Reaction. Organic letters, 2017, 19, 2006-2009
1545748	CIF	C220 H150	I 1 2 1	15.2965; 29.0416; 42.143 90; 94.486; 90	18664	Ikemoto, Koki; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki Entropy-Driven Ball-in-Bowl Assembly of Fullerene and Geodesic Phenylene Bowl Organic Letters, 2017
1545749	CIF	C29 H39 N O9	P 21 21 21	11.732; 15.204; 15.864 90; 90; 90	2829.7	Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction. Organic letters, 2017, 19, 2250-2253
1545750	CIF	C48 H54 N3 O24 P3 S6	P 1 21/c 1	14.9225; 13.0558; 30.1455 90; 97.7219; 90	5819.84	Celebi, Elif Busra; Hacıvelioğlu, Ferda Preparation of Sulfonic Acid Functional Proton Conducting Phosphazenes by Covalent Protection Polym. Chem., 2017
1545751	CIF	C67 H80 N2 O10	P b a 2	25.3293; 20.1695; 23.6895 90; 90; 90	12102.5	li, zhengtao; Xing, Hao; Shi, Bingbing Two novel supramolecular metallogels constructed by platinum(II) coordination and pillar[5]arene-based host‒guest interactions Polym. Chem., 2017
1545752	CIF	C4 H14 F2 Ga3 N2 O12 P3	P b c a	10.075; 18.506; 16.06 90; 90; 90	2994.4	Thierry Loiseau; Francis Taulelle; Gerard Ferey Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization Microporous Materials, 1996, 5, 365-379
1545753	CIF	C5 H16 F2 Ga3 N2 O12 P3	P b c a	10.156; 18.672; 16.367 90; 90; 90	3104	Thierry Loiseau; Francis Taulelle; Gerard Ferey Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization Microporous Materials, 1996, 5, 365-379
1545754	CIF	C30 H42 O8	P 1 21 1	8.6396; 16.1754; 10.6697 90; 107.772; 90	1419.92	Zhao, Shou; Abu-Omar, Mahdi M. Renewable Thermoplastics Based on Lignin-Derived Polyphenols Macromolecules, 2017
1545755	CIF	C22 H16 N4 O3	P 1 21/n 1	23.507; 6.5815; 25.139 90; 104.31; 90	3768.6	Laugeois, Maxime; Ling, Johanne; Férard, Charlène; Michelet, Véronique; Ratovelomanana-Vidal, Virginie; Vitale, Maxime R. Palladium(0)-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with Vinylcyclopropanes: An Entry to Stereodefined 2,3-Fused Cyclopentannulated Indoline Derivatives Organic Letters, 2017
1545756	CIF Paper	C14 H11 N O Se	P 1 21/c 1	15.561; 5.9415; 12.471 90; 92.799; 90	1151.6	Wang, Liyun; Xu, Ying; Guo, Zhiqiang; Wei, Xuehong 2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one IUCrData, 2017, 2, x170532
1545757	CIF	C19 H10 Br2 O	C 1 2/c 1	17.7623; 7.2919; 23.6434 90; 102.092; 90	2994.4	Gu, Xiao; Li, Huiyan; Shan, Bowen; Liu, Zhifeng; Miao, Qian Synthesis, Structure, and Properties of Tetrabenzo[7]circulene. Organic letters, 2017, 19, 2246-2249
1545758	CIF	C25 H20.5 Cl2.5 N O2	C 1 c 1	13.7789; 14.858; 22.728 90; 98.14; 90	4606.2	Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether. Organic letters, 2017, 19, 2262-2265
1545759	CIF	C21 H19 N O2	P -1	8.078; 8.37; 12.38 100.58; 101.15; 94.63	801	Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether. Organic letters, 2017, 19, 2262-2265
1545760	CIF	C26 H19 N O2	P 21 21 21	7.65703; 9.51508; 26.1253 90; 90; 90	1903.42	Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction Chem. Sci., 2017
1545761	CIF	C27 H30 B N O4	P 21 21 21	8.52078; 15.6118; 17.52 90; 90; 90	2330.59	Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction Chem. Sci., 2017
1545762	CIF	C25 H32 B N O6	P 21 21 21	11.0936; 14.6662; 14.75 90; 90; 90	2399.84	Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction Chem. Sci., 2017
1545763	CIF	C8.58 H2 Co2 O6.58	R -3	25.8262; 25.8262; 6.8315 90; 90; 120	3946.1	Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017
1545764	CIF	C8 H2 Co2 N7.55 O6	R -3	25.81; 25.81; 6.901 90; 90; 120	3981	Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017
1545765	CIF	C8 H2 Co2 O6	R -3	25.892; 25.892; 6.8482 90; 90; 120	3975.9	Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017
1545766	CIF	C8 H2 Co2 O6 P5.28	R -3	25.7348; 25.7348; 6.8385 90; 90; 120	3922.2	Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017
1545767	CIF	C8 H2 Ar2 Co2 O6	R -3	25.86; 25.86; 6.8678 90; 90; 120	3977.5	Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017
1545768	CIF	C8 H2 Co2 O17.92	R -3	25.7599; 25.7599; 6.8766 90; 90; 120	3951.8	Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017
1545769	CIF	C10 H10 Co2 O6	R -3	25.866; 25.866; 6.8457 90; 90; 120	3966.5	Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017
1545770	CIF	C9.19 H2 Co2 O7.19	R -3	25.853; 25.853; 6.8494 90; 90; 120	3964.7	Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017
1545771	CIF	C72 H83 Cl0 F0 N6 O0 P Pt2 S	P 1 21/c 1	13.7722; 39.9563; 17.7098 90; 97.536; 90	9661.3	Leung, Sammual Yu-Lut; Evariste, Sloane; Lescop, Christophe; Hissler, Muriel; Yam, Vivian Wing-Wah Supramolecular assembly of a phosphole-based moiety into nanostructures dictated by alkynylplatinum(ii) terpyridine complexes through non-covalent Pt⋯Pt and π‒π stacking interactions: synthesis, characterization, photophysics and self-assembly behaviors Chem. Sci., 2017
1545772	CIF	C19 H38 Fe2 N6 O19 P2	P n a 21	21.3916; 9.4099; 16.1292 90; 90; 90	3246.69	Du, Kang; Waters, Emily Alex; Harris, David David Ratiometric Quantitation of Redox Status with a Molecular Fe2 Magnetic Resonance Probe Chem. Sci., 2017
1545773	CIF	C22 H19 F3 O3	P 1	8.7678; 10.7305; 10.8657 67.757; 88.911; 87.411	945.24	Zhang, Junliang; Zhou, Wei; Wang, Hua-Min; Tao, Mengna; Zhu, Chao-Ze; Lin, Tao-Yan Phosphine-catalyzed Enantioselective [3+2] Cycloadditions of -Substituted Allenoates with β-Perfluoroalkyl Enones Chem. Sci., 2017
1545774	CIF	C30 H37 Au F6 O P Sb	P 1 21/c 1	12.9887; 15.9169; 15.3964 90; 106.699; 90	3048.8	Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds Chem. Sci., 2017
1545775	CIF	C22 H25 Au I P	P 1 21 1	8.429; 10.7662; 11.6292 90; 94.266; 90	1052.41	Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds Chem. Sci., 2017
1545776	CIF	C64 H82	I 1 2/a 1	16.3409; 9.0662; 35.1804 90; 101.985; 90	5098.4	Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires The Journal of Physical Chemistry C, 2017, 121, 9202
1545777	CIF	Ba F6 Zr	C m m a	7.681; 11.357; 5.511 90; 90; 90	480.742	Mehlhorn, Von B; Hoppe, R Neue Hexafluorozirkonate(IV): BaZrF6, PbZrF6, EuZrF6, SrZrF6 Zeitschrift fur anorganische und allgemeine Chemie, 1976, 425, 180-188
1545778	CIF	C14 H12 O2 Se	P 1 21/c 1	7.4743; 17.3909; 10.0665 90; 107.933; 90	1244.92	Mandal, Anup; Dana, Suman; Sahoo, Harekrishna; Grandhi, Gowri Sankar; Baidya, Mahiuddin Ruthenium(II)-Catalyzed ortho-C-H Chalcogenation of Benzoic Acids via Weak O-Coordination: Synthesis of Chalcogenoxanthones. Organic letters, 2017, 19, 2430-2433
1545779	CIF	C19 H14 O2 Se2	P -1	10.126; 12.9083; 13.2893 77.953; 80.076; 82.458	1665.16	Mandal, Anup; Dana, Suman; Sahoo, Harekrishna; Grandhi, Gowri Sankar; Baidya, Mahiuddin Ruthenium(II)-Catalyzed ortho-C-H Chalcogenation of Benzoic Acids via Weak O-Coordination: Synthesis of Chalcogenoxanthones. Organic letters, 2017, 19, 2430-2433
1545780	CIF	C25 H21 Br N2 O3 S	P 1 21/c 1	8.729; 9.996; 25.71 90; 98.72; 90	2217.4	Yi, Liang; Zhang, Yuyang; Zhang, Zhao-Fei; Sun, Dequn; Ye, Song Synthesis of Dihydropyridinone-Fused Indoles and α-Carbolines via N-Heterocyclic Carbene-Catalyzed [3 + 3] Annulation of Indolin-2-imines and Bromoenals. Organic letters, 2017, 19, 2286-2289
1545781	CIF	C14 H21 N O4 S	I 1 2 1	14.811; 5.342; 19.823 90; 99.03; 90	1549	Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A. Organic letters, 2017, 19, 2394-2397
1545782	CIF	C12 H18 Br N O3	P 1 21 1	10.006; 6.2513; 10.8417 90; 93.336; 90	677	Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A. Organic letters, 2017, 19, 2394-2397
1545783	CIF	C7 H4 Br Cl O2	P 1 21/n 1	7.2271; 8.948; 12.1887 90; 105.819; 90	758.37	Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017
1545784	CIF	C7 H4 Br Cl O2	P 1 21/n 1	7.2738; 9.0627; 11.7233 90; 102.916; 90	753.25	Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017
1545785	CIF	C7 H4 Br Cl O2	P 1 21/n 1	7.2577; 9.0397; 11.8561 90; 103.904; 90	755.06	Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017
1545786	CIF	C7 H4 Br Cl O2	P 1 21/n 1	7.256; 9.0227; 11.9855 90; 104.676; 90	759.07	Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017
1545787	CIF	C7 H4 Br Cl O2	P -1	3.8949; 8.2939; 11.8408 89.014; 89.991; 78.651	374.97	Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017
1545788	CIF	C7 H4 Br Cl O2	P 1 21/n 1	7.2385; 8.9976; 12.1313 90; 105.406; 90	761.71	Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017
1545789	CIF	C7 H4 Br Cl O2	P -1	3.9007; 8.307; 11.9258 88.909; 89.987; 78.731	378.91	Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017
1545790	CIF	C7 H4 Br Cl O2	P 1 21/n 1	7.2399; 9.0087; 12.0539 90; 105.036; 90	759.26	Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017
1545791	CIF	C16 H36 Cl0.07 I4.93 N	P 1 21/c 1	19.948; 28.361; 9.3012 90; 96.59; 90	5227.3	Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes Faraday Discuss., 2017
1545792	CIF	C16 H36 I3 N	P -1	9.463; 15.553; 15.805 83.658; 74.285; 78.5	2190.3	Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes Faraday Discuss., 2017
1545793	CIF	B30 Nd5 O60 Rb15	R 3 2 :H	13.52363; 13.52363; 31.1617 90; 90; 120	4935.6	V.V. Atuchin; A.K. Subanakov; A.S. Aleksandrovsky; B.G. Bazarov; J.G. Bazarova; S.G. Dorzhieva; T.A. Gavrilova; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; Yu.L. Tushinova; A.P. Yelisseyev Exploration of structural, thermal, vibrational and spectroscopic properties of new noncentrosymmetric double borate Rb3NdB6O12 Advanced Powder Technology, 2017, 28, 1309-1315
1545794	CIF	C68 H78 N2 O2 S4	P -1	6.024; 12.4238; 20.231 78.658; 86.669; 78.084	1452.31	Ganguly, Anindya; Zhu, Jianfeng; Kelly, Timothy L. Effect of Cross-Conjugation on Derivatives of Benzoisoindigo, an Isoindigo Analogue with an Extended π-System The Journal of Physical Chemistry C, 2017, 121, 9110
1545795	CIF	La1.33 Mo4 Na1.33 O16 Sr1.33	I 41/a :2	5.36033; 5.36033; 11.82739 90; 90; 90	339.838	Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163
1545796	CIF	Er0.27 La1.07 Mo4 Na1.33 O16 Sr1.33	I 41/a :2	5.34061; 5.34061; 11.77693 90; 90; 90	335.903	Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163
1545797	CIF	Er0.13 La0.93 Mo4 Na1.33 O16 Sr1.33 Yb0.27	I 41/a :2	5.32926; 5.32926; 11.74788 90; 90; 90	333.652	Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163
1545798	CIF	Er0.07 La0.67 Mo4 Na1.33 O16 Sr1.33 Yb0.6	I 41/a :2	5.30628; 5.30628; 11.68195 90; 90; 90	328.924	Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163
1545799	CIF	C13 H13 N O	P 1 21/c 1	11.2899; 10.188; 8.5203 90; 93.637; 90	978.04	Hu, Feng; Nareddy, Pradeep; Lalancette, Roger; Jordan, Frank; Szostak, Michal σ N-C Bond Difunctionalization in Bridged Twisted Amides: Sew-and-Cut Activation Approach to Functionalized Isoquinolines. Organic letters, 2017, 19, 2386-2389
1545800	CIF	C15 H28 N4 O7 S2	P 1 21/c 1	7.8403; 12.7512; 10.5247 90; 91.486; 90	1051.83	Deng, Jie; Xu, Bao-Hua; Wang, Yao-Feng; Mo, Xian-En; Zhang, Rui; Li, You; Zhang, Suo-Jiang Brønsted acidic ionic liquid-catalyzed dehydrative formation of isosorbide from sorbitol: introduction of a continuous process Catal. Sci. Technol., 2017
1545801	CIF	C8 H24 Br4 N2 Pb	P b c a	8.3343; 8.2225; 27.6171 90; 90; 90	1892.57	Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017
1545802	CIF	C4 H14 Br4 N2 Pb	P -1	8.0135; 8.427; 10.7367 78.957; 69.565; 89.542	665.47	Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017
1545803	CIF	C5 H11 Br4 N3 Pb	P 1 21/c 1	10.6055; 11.6091; 11.9312 90; 110.061; 90	1379.8	Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017
1545804	CIF	C6 H18 Br4 N2 Pb	C 1 2/c 1	24.4632; 8.0039; 8.1963 90; 99.745; 90	1581.69	Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017
1545805	CIF	C5 H11 Br4 N3 Pb	P 1 21/c 1	10.5412; 11.5023; 11.925 90; 109.996; 90	1358.7	Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017
1545806	CIF	C8 H22 Br4 N2 Pb	P 1 21/c 1	13.807; 7.9891; 8.2769 90; 104.34; 90	884.5	Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017
1545807	CIF	C8 H14 Br4 N2 Pb	P 1 21/c 1	7.7688; 8.5108; 24.6314 90; 95.197; 90	1621.9	Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017
1545808	CIF	C24 H60 Br12 N6 O12 Pb3	P 1 21/c 1	24.7721; 8.0709; 56.964 90; 97.137; 90	11300.7	Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017
1545809	CIF	C32 H36 N4 O4	P 1 21/n 1	7.8566; 21.336; 8.3872 90; 90.911; 90	1405.8	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545810	CIF	C30 H34 N2 O4 S2	P 1 21/n 1	7.7971; 22.217; 7.9179 90; 91.479; 90	1371.1	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545811	CIF	C43 H49 N5 O4	P -1	7.409; 8.781; 15.36 81.63; 86.57; 78.64	969	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545812	CIF	C29 H30 N2 O2	P 1 21/c 1	7.5571; 24.125; 12.9363 90; 92.034; 90	2357	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545813	CIF	C34 H38 N2 O4	P 1 21/n 1	8.292; 20.615; 8.47 90; 92.435; 90	1446.6	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545814	CIF	C44 H46 N6 O4	P -1	7.485; 8.797; 14.171 96.618; 93.306; 91.826	924.6	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545815	CIF	C42 H44 N4 O4 S2	P -1	7.492; 9.069; 13.643 98.069; 92.516; 91.428	916.5	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545816	CIF	C90 H96 N10 O8	P -1	7.3795; 8.8871; 29.533 89.495; 84.054; 85.281	1919.9	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545817	CIF	C75 H73 N8 O6	P -1	7.478; 8.739; 23.37 92.36; 90.29; 93.131	1524	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545818	CIF	C46 H48 N4 O4	P -1	7.528; 8.948; 14.11 96.219; 94.61; 90.598	942	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545819	CIF	C44 H48 N6 O4	P -1	7.4957; 8.7882; 14.308 97.049; 94.334; 91.781	931.9	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545820	CIF	C42 H46 N4 O4 S2	P -1	7.531; 9.026; 13.941 98.18; 92.03; 91.235	937	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545821	CIF	C75 H75 N8 O6	P -1	7.4611; 8.7285; 23.6219 92.85; 91.347; 93.317	1533.34	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545822	CIF	C77 H79 N8 O5	P -1	7.4709; 8.7326; 23.6381 92.857; 91.317; 93.293	1537.18	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545823	CIF	C77 H77 N6 O6	P -1	7.4914; 8.8265; 23.583 92.722; 92.976; 91.626	1554.77	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545824	CIF	C46 H50 N4 O4	P -1	7.5407; 8.9198; 14.284 96.506; 96.093; 90.634	948.9	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545825	CIF	C27 H38 N2 O2	P 1 21/c 1	8.356; 24.894; 11.744 90; 96.324; 90	2428	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545826	CIF	C50 H52 N4 O4	P -1	7.546; 9.4647; 14.8318 85.58; 77.14; 86.77	1028.8	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545827	CIF	C42 H48 N6 O4	P -1	7.324; 8.723; 15.107 82.27; 88.73; 78.76	938	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545828	CIF	C31 H30 N2 O2	P 1 21/c 1	8.0059; 24.903; 12.0892 90; 91.065; 90	2409.8	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545829	CIF	C44 H50 N4 O4	P -1	7.195; 8.865; 15.981 80.52; 84.2; 79.19	985	Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101
1545830	CIF Paper	C9 H11 N5 O4 S2	P 1 21/n 1	4.9138; 33.192; 8.3659 90; 99.52; 90	1345.7	Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160
1545831	CIF Paper	C14 H16 N6 O5 S2	P -1	6.8501; 11.3563; 12.3387 82.288; 81.856; 75.804	916.19	Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160
1545832	CIF Paper	C10 H19 N5 O5 S2	P -1	4.9969; 11.6983; 14.6244 70.868; 81.892; 80.262	792.65	Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160
1545833	CIF Paper	C5 H9 N4 O3.5 S2.5	C 1 2/c 1	52.62; 4.816; 17.814 90; 106.785; 90	4322	Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160
1545834	CIF Paper	C10 H13 N5 O4 S2	P 1 c 1	11.3972; 18.1641; 10.338 90; 97.046; 90	2124	Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160
1545835	CIF Paper	C10 H12 N6 O4 S2	P -1	5.1477; 10.8147; 14.2604 69.797; 85.463; 81.889	737.2	Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160
1545836	CIF Paper	C15 H17 N7 O5 S2	P -1	7.0347; 10.2539; 13.7934 81.685; 83.028; 88.283	977.14	Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160
1545837	CIF Paper	C10 H15 N5 O6 S2	P -1	7.7872; 10.213; 10.2464 88.192; 76.587; 77.996	775.22	Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160
1545838	CIF Paper	C14 H24 N6 O5 S2	P 1 21/c 1	9.66166; 23.4685; 8.84352 90; 100.773; 90	1969.88	Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160
1545839	CIF	C38 H52 N6 O4	P -1	8.8712; 10.1819; 11.2862 114.633; 93.749; 101	897.56	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545840	CIF	C120 H160 N16 O17	C 1 2/c 1	15.533; 8.564; 21.8 90; 93.873; 90	2893	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545841	CIF	C36 H48 N6 O6	P 1 21/c 1	15.6084; 13.4786; 17.2209 90; 90.2; 90	3622.9	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545842	CIF	C64 H56 N4 O4	P -1	9.0005; 10.0381; 14.4894 108.432; 101.78; 90.484	1212	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545843	CIF	C29 H31 N3 O2	P -1	8.9943; 9.5169; 14.927 74.162; 77.589; 89.115	1199.2	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545844	CIF	C62 H54 N6 O4	P -1	9.034; 9.889; 14.505 107.761; 101.019; 91.432	1206.5	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545845	CIF	C54 H54 N6 O6	P -1	8.6332; 9.0194; 14.869 105.2; 91.263; 91.519	1116.4	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545846	CIF	C44 H44 N6 O6	P -1	7.812; 8.763; 14.3 95.009; 95.415; 101.04	950.9	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545847	CIF	C56 H56 N6 O8	P -1	10.151; 11.2084; 12.3363 102.012; 105.153; 112.368	1176.1	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545848	CIF	C38 H46 N4 O4 S2	P -1	8.662; 10.289; 11.523 65.003; 76.93; 80.277	903.5	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545849	CIF	C24 H23 N2 O2	P -1	8.971; 10.078; 11.666 109.665; 94.353; 90.742	989.5	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545850	CIF	C42 H58 N4 O4	P 1 21/c 1	11.4579; 11.8325; 14.9792 90; 107.229; 90	1939.7	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545851	CIF	C46 H44 N6 O4	P -1	8.983; 12.712; 17.561 89.485; 76.291; 82.933	1933	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545852	CIF	C23 H22 N3 O2	P -1	8.778; 10.491; 12.095 66.387; 81.548; 69.631	956.7	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545853	CIF	C46 H50 N4 O4	P -1	8.921; 10.723; 10.954 67.417; 81.183; 78.367	944.3	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545854	CIF	C40 H48 N6 O6	P -1	8.284; 8.564; 14.6 78.65; 87.26; 64.4	915	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545855	CIF	C44 H40 N6 O6	P -1	9.012; 11.241; 18.355 94.296; 93.207; 92.248	1850	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545856	CIF	C56 H48 N8 O6	P -1	7.576; 9.081; 16.503 96.651; 90.601; 91.433	1127.3	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545857	CIF	C44 H46 N4 O6	P 1 21/c 1	8.876; 11.941; 17.98 90; 97.072; 90	1891.2	Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107
1545858	CIF	C66 H84 I6 N12 Zn3	C 1 2/c 1	34.376; 15.0832; 29.6413 90; 100.675; 90	15103	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545859	CIF	C73.5 H78.76 I6 N12 Zn3	C 1 2/c 1	35.0725; 14.8911; 30.9658 90; 101.956; 90	15821.6	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545860	CIF	C285 H317 I24 N48 O15 Zn12	P 1 21 1	32.8072; 14.9123; 34.9062 90; 105.822; 90	16430.2	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545861	CIF	C61.47 H64.79 I6.01 N12 O4.06 Zn3	C 1 2/c 1	34.4746; 15.0255; 30.1535 90; 99.681; 90	15397	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545862	CIF	C75 H72 I6 N12 O10.5 Zn3	C 1 2/c 1	34.1414; 14.5641; 34.9597 90; 108.633; 90	16472.2	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545863	CIF	C67 H66 I6 N12 O9 Zn3	C 1 2/c 1	34.9043; 14.955; 30.3469 90; 100.074; 90	15596.7	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545864	CIF	C69.69 H80.8 I6 N14.11 Zn3	C 1 2/c 1	36.8116; 14.6974; 30.6993 90; 103.07; 90	16179.1	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545865	CIF	C58.32 H48.8 I6 N14.2 O6.61 Zn3	C 1 2/c 1	32.5791; 15.2458; 29.0346 90; 98.398; 90	14266.7	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545866	CIF	C64.44 H65.6 I6 N12 O1.48 Zn3	C 1 2/c 1	35.1288; 14.767; 30.8649 90; 101.432; 90	15693.4	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545867	CIF	C120.9 H108 I11.99 N24 O12.59 Zn5.99	P -1	14.8292; 17.9234; 29.9062 96.836; 93.529; 110.142	7364.6	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545868	CIF	C123 H113.6 I12 N24 O12.14 Zn6	P -1	14.8303; 17.913; 29.8943 96.803; 93.488; 110.229	7355	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545869	CIF	C123 H112.85 I11.99 N24 O12.39 Zn5.99	P -1	14.8303; 17.913; 29.8943 96.803; 93.488; 110.229	7355	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545870	CIF	C71.25 H57.96 Br1.92 I6 N12 Zn3	C 1 2/c 1	35.8691; 14.8864; 31.2823 90; 102.711; 90	16294.2	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545871	CIF	C60.92 H58.15 I6 N12 O5.89 Zn3	C 1 2/c 1	34.0465; 14.9235; 30.8377 90; 100.629; 90	15399.6	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151
1545872	CIF	F11 Pr Zr2	I b a m	7.716; 10.006; 10.897 90; 90; 90	841.3	Laval, J P; Abaouz, A Crystal chemistry of anion-excess ReO3-related phases II; Crystal structure of PrZr2F11 Journal of Solid State Chemistry, 1992, 100, 90-100
1545873	CIF	C29 H35 N5 O5 S4	P 1 21 1	10.8556; 8.4638; 17.443 90; 96.664; 90	1591.8	Antczak, Monika I.; Zhang, Yongyou; Wang, Changguang; Doran, Jennifer; Naidoo, Jacinth; Voruganti, Sukesh; Williams, Noelle S.; Markowitz, Sanford D.; Ready, Joseph M. Inhibitors of 15-Prostaglandin Dehydrogenase to Potentiate Tissue Repair. Journal of medicinal chemistry, 2017
1545874	CIF	C6 H11 F4 Li N4 O8 S4	P 1 21/a 1	8.9922; 9.6614; 10.2093 90; 105.422; 90	855.02	Matsumoto, Kazuhiko; Nishiwaki, Erisa; Hosokawa, Takafumi; Tawa, Shinya; Nohira, Toshiyuki; Hagiwara, Rika Thermal, Physical, and Electrochemical Properties of Li[N(SO2F)2]-[1-Ethyl-3-methylimidazolium][N(SO2F)2] Ionic Liquid Electrolytes for Li Secondary Batteries Operated at Room and Intermediate Temperatures The Journal of Physical Chemistry C, 2017, 121, 9209
1545875	CIF	C14 H14 S4	P 1 21/c 1	14.0418; 6.1192; 17.399 90; 101.306; 90	1465.99	Cerda, Matthew M.; Hammers, Matthew D.; Earp, Mary S.; Zakharov, Lev N.; Pluth, Michael D. Applications of Synthetic Organic Tetrasulfides as H2S Donors. Organic letters, 2017, 19, 2314-2317
1545876	CIF	C23 H20 N2 O3 S	P 1 21/n 1	10.02; 11.238; 17.984 90; 101.851; 90	1981.9	Stefan, Mihaela Corina; Dissanayake, Dushanthi; McCandless, Gregory T.; Biewer, Michael C. Systematic variation of thiophene substituents in photochromic spiropyrans Photochem. Photobiol. Sci., 2017
1545877	CIF	C23 H19 Br N2 O3 S	P 1 21/c 1	19.967; 11.759; 8.67 90; 94.66; 90	2028.9	Stefan, Mihaela Corina; Dissanayake, Dushanthi; McCandless, Gregory T.; Biewer, Michael C. Systematic variation of thiophene substituents in photochromic spiropyrans Photochem. Photobiol. Sci., 2017
1545878	CIF	Ba F11 Na Zr2	I 41/a :2	8.223; 8.223; 23.61 90; 90; 90	1596.5	Laval, J. P.; Abaouz, A. Crystal structure of BaNaZr2F11 : a phase recrystallizing from fluorozirconate glasses Journal of Solid State Chemistry, 1992, 101, 18-25
1545879	CIF	C24 H23 N O6 S	P 1 21/n 1	10.3695; 11.2448; 19.3109 90; 94.823; 90	2243.7	Xing, Jiaojiao; Lei, Yu; Gao, Yu-Ning; Shi, Min PPh3-Catalyzed [3 + 2] Spiroannulation of 1C,3N-Bisnucleophiles Derived from Secondary β-Ketoamides with δ-Acetoxy Allenoate: A Route to Functionalized Spiro N-Heterocyclic Derivatives. Organic letters, 2017, 19, 2382-2385
1545880	CIF	C22 H27 N O6 S	P 1 21/c 1	15.5866; 9.8958; 14.265 90; 98.14; 90	2178.1	Xing, Jiaojiao; Lei, Yu; Gao, Yu-Ning; Shi, Min PPh3-Catalyzed [3 + 2] Spiroannulation of 1C,3N-Bisnucleophiles Derived from Secondary β-Ketoamides with δ-Acetoxy Allenoate: A Route to Functionalized Spiro N-Heterocyclic Derivatives. Organic letters, 2017, 19, 2382-2385
1545881	CIF	C24 H14 Co2 O6	P -1	8.4376; 10.1022; 13.0614 98.593; 92.973; 100.142	1080.1	Wang, Gongbao; Lindeboom, Erik-Jan; Heerewaarden, Chris van; Minnaard, Adriaan J. Synthesis of Ene-yne-enes by Nickel-Catalyzed Double SN2’ substitution of 1,6-Dichlorohexa-2,4-diyne Catal. Sci. Technol., 2017
1545882	CIF	F12 O Tl2 Zr3	R -3 m :H	7.703; 7.703; 30.017 90; 90; 120	1542.5	Mansouri, I.; Avignant, D. Crystal structure of a new oxyfluoride : Tl2Zr3OF12 Journal of Solid State Chemistry, 1984, 51, 91-99
1545883	CIF	C36 H54 O6	P 21 21 21	10.8783; 11.8013; 26.178 90; 90; 90	3360.68	Guo, Yi; Zhang, Na; Chen, Chunmei; Huang, Jinfeng; Li, Xiao-Nian; Liu, Junjun; Zhu, Hucheng; Tong, Qingyi; Zhang, Jinwen; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui Tricyclic Polyprenylated Acylphloroglucinols from St John's Wort, Hypericum perforatum. Journal of natural products, 2017
1545884	CIF	C23 H23 N O4 S	P 1 21 1	12.542; 5.445; 15.507 90; 94.578; 90	1055.6	Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters. Organic letters, 2017, 19, 2322-2325
1545885	CIF	C16 H22 O2	P 1 21 1	8.0035; 9.1507; 9.4828 90; 98.897; 90	686.14	Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias Asymmetric Synthesis of Carbocyclic Propellanes. Organic letters, 2017
1545886	CIF	C19 H19 Br O3	P 21 21 21	7.3483; 12.121; 18.3918 90; 90; 90	1638.13	Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias Asymmetric Synthesis of Carbocyclic Propellanes. Organic letters, 2017
1545887	CIF	C28 H28 N2 O10	P 1	7.3394; 12.4108; 14.7998 107.312; 100.068; 91.14	1263.48	Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias Asymmetric Synthesis of Carbocyclic Propellanes. Organic letters, 2017
1545888	CIF	C25 H25 N O2 S2	P -1	8.6354; 9.6432; 14.338 100.662; 96.56; 112.543	1060.91	Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417
1545889	CIF	C21 H19 F6 N O3 S	P 1 21/c 1	8.3336; 20.386; 12.286 90; 100.225; 90	2054.1	Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417
1545890	CIF	C19 H21 N O3 S	P 1 21/c 1	6.0294; 32.1226; 8.9796 90; 100.835; 90	1708.16	Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417
1545891	CIF	C33 H30 N2 O2 S	P 1 21/c 1	12.193; 15.497; 28.3046 90; 93.718; 90	5337	Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417
1545892	CIF	C28 H28 N2 O2 S	P -1	8.6014; 15.9764; 18.922 65.929; 81.466; 88.644	2345.9	Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417
1545893	CIF	C4 H12 Cu2 I2 N2	P 42/n	11.7663; 11.7663; 7.5184 90; 90; 90	1040.89	Jin, Xiaodong; Davies, Robert P. Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems Catal. Sci. Technol., 2017
1545894	CIF	C20 H65 Cu2 I4 N15	P 21 21 21	9.18796; 12.5494; 35.7355 90; 90; 90	4120.42	Jin, Xiaodong; Davies, Robert P. Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems Catal. Sci. Technol., 2017
1545895	CIF	C8 H24 Cu2 I2 N4	P 1 21/c 1	13.3569; 11.5554; 11.4189 90; 95.026; 90	1755.7	Jin, Xiaodong; Davies, Robert P. Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems Catal. Sci. Technol., 2017
1545896	CIF	F15 Pr Zr3	R 3 m :H	12.316; 12.316; 6.115 90; 90; 120	803.3	Laval, J. P.; Abaouz, A. Crystal chemistry of anion-excess ReO3-related phases : crystal structure of beta-PrZr3F15 Journal of Solid State Chemistry, 1992, 96, 324-331
1545897	CIF	C4 H15 Ga N2 O8 P2	P n a a	9.109; 11.021; 11.987 90; 90; 90	1203.4	Ann M. Chippindale; Andrew D. Bond; Ashley D. Law; Andrew R. Cowley Synthesis and Characterization of [NH3(CH2)4NH3][Ga(PO4)(PO3OH)], a One-Dimensional Gallophosphate Journal of Solid State Chemistry, 1998, 136, 227-232
1545898	CIF	C22 H23 N O2 Si	P 21 21 21	9.3782; 11.6315; 17.149 90; 90; 90	1870.7	Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L. Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes. Organic letters, 2017, 19, 2482-2485
1545899	CIF	C20 H24 N2	P 1 21/n 1	16.6451; 5.8536; 19.416 90; 113.818; 90	1730.7	Zhou, Rong; Liu, Haiwang; Tao, Hairong; Yu, Xingjian; Wu, Jie Metal-free direct alkylation of unfunctionalized allylic/benzylic sp3 CH bonds via photoredox induced radical cation deprotonation Chem. Sci., 2017
1545900	CIF	C25 H31 N O2	P 1 21 1	5.4583; 10.396; 19.0896 90; 98.026; 90	1072.62	Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017, 60, 3606-3617
1545901	CIF	C22 H28 O4	P 21 21 21	6.1077; 15.287; 21.901 90; 90; 90	2044.9	Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017
1545902	CIF	C23 H27 N O4	P 1 21 1	10.0156; 6.613; 15.9543 90; 91.121; 90	1056.5	Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017
1545903	CIF	C20 H19 Br N2 O4	P 1 21/c 1	28.3676; 12.0527; 11.4928 90; 91.5907; 90	3927.94	Suzuki, Itaru; Tsunoi, Shinji; Shibata, Ikuya Catalytic Annulation of Diethyl Methylenecyclopropane-1,1-dicarboxylate with 1,1-Dicyanoalkenes. Organic letters, 2017, 19, 2690-2693
1545904	CIF	C50 H81 Li O2	P 1 21/n 1	9.7973; 25.876; 18.478 90; 93.768; 90	4674.3	Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Müller, Peter; Becker, Jonathan Synthesis of 2,6-Hexa-tert-butylterphenyl Derivatives, 2,6-(2,4,6-t-Bu3C6H2)2C6H3X, where X = I, Li, OH, SH, N3, or NH2 Organic Letters, 2017
1545905	CIF	C126 H183 Cl6 O3 W1.5	C 1 2/c 1	19.931; 65.396; 18.862 90; 90; 90	24585	Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Müller, Peter; Becker, Jonathan Synthesis of 2,6-Hexa-tert-butylterphenyl Derivatives, 2,6-(2,4,6-t-Bu3C6H2)2C6H3X, where X = I, Li, OH, SH, N3, or NH2 Organic Letters, 2017
1545906	CIF	C28 H31 Br N2 O5 S2	P 1 21 1	13.3441; 6.3849; 16.136 90; 95.366; 90	1368.77	Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M. Oxetanyl Amino Acids for Peptidomimetics. Organic letters, 2017, 19, 2510-2513
1545907	CIF	C14 H28 N2 O3 S	P 21 21 21	5.4302; 15.9643; 19.0144 90; 90; 90	1648.3	Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M. Oxetanyl Amino Acids for Peptidomimetics. Organic letters, 2017, 19, 2510-2513
1545908	CIF	C41 H59 Br N6 Ni O Si3	P -1	9.4796; 15.2993; 15.5434 89.381; 78.419; 77.883	2158	Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017
1545909	CIF	C40 H54 Cu N6 Si3	R -3 :H	16.4836; 16.4836; 26.069 90; 90; 120	6134.2	Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017
1545910	CIF	C44 H60 Mg N6 Si3	P 1 21/n 1	12.834; 17.1903; 20.4108 90; 98.1684; 90	4457.4	Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017
1545911	CIF	C37 H51 Li N6 Si3	I 2 3	20.191; 20.191; 20.191 90; 90; 90	8231.4	Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017
1545912	CIF	C46 H61 N6 Si3	P -1	10.1605; 15.4631; 15.8502 65.3205; 86.4167; 79.4613	2224.4	Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017
1545913	CIF	C41 H57 N6 Si3 Zn	P -1	11.1387; 12.298; 17.7675 79.0698; 75.102; 65.8782	2136.8	Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017
1545914	CIF	C43 H57 Br N6 Ni Si3	P 1 21/c 1	12.702; 18.819; 18.915 90; 105.63; 90	4354.2	Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017
1545915	CIF	C37 H51 Cu N6 Si3	I 2 3	20.1294; 20.1294; 20.1294 90; 90; 90	8156.3	Ruccolo, Serge; Rauch, Michael; Parkin, Gerard Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field Chem. Sci., 2017
1545916	CIF	Ba2 F11 Mn3 Na	R -3 c :H	7.003; 7.003; 35.466 90; 90; 120	1506.3	Darriet, J.; Ducau, M.; Feist, M.; Tressaud, A.; Hagenmuller, P. Crystal structure and magnetic properties of NaBa2Mn3F11 : a new layer-type fluoride compound Journal of Solid State Chemistry, 1992, 98, 379-385
1545917	CIF	Ca O10 P2 V2	F d d 2	11.795; 15.784; 7.19 90; 90; 90	1338.6	Lii, K. H.; Chueh, B. R.; Kang, H. Y.; Wang, S. L. Synthesis and crystal structure of Ca(VO)2(PO4)2 Journal of Solid State Chemistry, 1992, 99, 72-77
1545918	CIF	Bi0.5 Na0.5 O9 Ti	R 3 c :H	5.49; 5.49; 13.387 90; 90; 120	349.429	Mahmood, Natheer B.; Al-Shakarchi, Emad K. Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT Journal of Modern Physics, 2017, 8, 844-851
1545919	CIF	Bi0.5 K0.5 O3 Ti	P 4 m m	3.9071; 3.9071; 3.9571 90; 90; 90	60.407	Mahmood, Natheer B.; Al-Shakarchi, Emad K. Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT Journal of Modern Physics, 2017, 8, 844-851
1545920	CIF	C181 H119 Cl15 N16 O22 P6 Zr4	P -1	15.402; 17.812; 18.047 87.569; 85.646; 71.376	4677	Yagi, Yuma; Masaki, Shuhei; Iwata, Tetsuki; Nakane, Daisuke; Yasui, Takashi; Yuchi, Akio Triphosphate Ion-Selective Electrode Based on Zr-Porphyrin Complex. Analytical chemistry, 2017, 89, 3937-3942
1545921	CIF	O7 Th V2	P n 21 a	7.201; 22.771; 6.945 90; 90; 90	1138.8	Launay, S.; Mahe, P.; Quarton, M.; Robert, F. Polymorphisme et structure cristalline de ThV2O7 Journal of Solid State Chemistry, 1992, 97, 305-313
1545922	CIF	C37 H39 N O5	P 21 21 21	9.0661; 10.4931; 34.221 90; 90; 90	3255.5	Tan, Liang; Tao, Yunliang; Wang, Ting; Zou, Feng; Zhang, Shuhua; Kou, Qunhuan; Niu, Ao; Chen, Qian; Chu, Wenjing; Chen, Xiaoyan; Wang, Haidong; Yang, Yushe Discovery of Novel Pyridone-Conjugated Monosulfactams as Potent and Broad-Spectrum Antibiotics for Multidrug-Resistant Gram-Negative Infections. Journal of medicinal chemistry, 2017, 60, 2669-2684
1545923	CIF	C37 H60 O11	P 1 21 1	12.5069; 23.641; 25.417 90; 98.788; 90	7427	Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities. Journal of natural products, 2017, 80, 1102-1109
1545924	CIF	C20 H24 O5	P 1 21 1	9.7656; 6.1628; 15.4441 90; 101.53; 90	910.72	Liu, Ye; Yu, Heng-Yi; Wang, Yan-Mei; Tian, Tian; Wu, Wen-Ming; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Neuroprotective Lignans from the Fruits of Schisandra bicolor var. tuberculata. Journal of natural products, 2017, 80, 1117-1124
1545925	CIF	C25 H30 Cl2 O6	P 21 21 21	11.0269; 13.3801; 16.14 90; 90; 90	2381.31	Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus. Journal of natural products, 2017, 80, 1039-1047
1545926	CIF	C32 H42	P 1 21/n 1	7.75029; 34.4156; 9.25694 90; 94.6142; 90	2461.11	Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires The Journal of Physical Chemistry C, 2017, 121, 9202
1545927	CIF	C18 H14 F3 N	P 1 21/n 1	5.9879; 12.983; 18.904 90; 90.542; 90	1469.5	Chen, Shuang; Li, Deng-Yuan; Jiang, Liang-Liang; Liu, Kai; Liu, Pei-Nian Copper-Catalyzed Cascade Transformation of Homopropargyl Azides into Trifluoromethylated Nitriles via C-C Cleavage. Organic letters, 2017, 19, 2014-2017
1545928	CIF	C10 H14 Cl N O	P 21 21 21	4.7337; 6.2908; 33.7597 90; 90; 90	1005.32	Wei, Yi; Zhang, Heng-Xia; Zeng, Jun-Liang; Nie, Jing; Ma, Jun-An Organocatalytic Asymmetric Decarboxylative Amination of β-Keto Acids: Access to Optically Active α-Amino Ketones and 1,2-Amino Alcohols. Organic letters, 2017, 19, 2162-2165
1545929	CIF	C15 H15 Cl O2	P 21 21 21	9.1478; 11.1509; 12.6918 90; 90; 90	1294.64	Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence. Organic letters, 2017, 19, 2130-2133
1545930	CIF	C29 H25 B N2 O	P 1 21/n 1	13.7906; 11.0012; 15.176 90; 106.407; 90	2208.6	Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence. Organic letters, 2017, 19, 2026-2029
1545931	CIF	C33 H27 Br2 Cl3 D N3 O3	P 21 21 2	16.2687; 22.872; 9.2415 90; 90; 90	3438.7	Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives. Organic letters, 2017, 19, 1954-1957
1545932	CIF	C32 H24 O8	P 1 21/n 1	8.5702; 19.8368; 13.8839 90; 93.903; 90	2354.86	Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii. Organic letters, 2017, 19, 2142-2145
1545933	CIF	C31 H22 O7	P 1 21/c 1	13.7367; 8.5632; 19.5622 90; 97.697; 90	2280.37	Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii. Organic letters, 2017, 19, 2142-2145
1545934	CIF	C21 H25 B F2 N2 O4	P -1	7.5261; 12.0151; 23.1016 89.001; 85.625; 82.143	2063.31	Patalag, Lukas J.; Ulrichs, Jan A.; Jones, Peter G.; Werz, Daniel B. Decorated BODIPY Fluorophores and Thiol-Reactive Fluorescence Probes by an Aldol Addition. Organic letters, 2017, 19, 2090-2093
1545935	CIF	C21 H22 N2 O6 S	C 1 c 1	26.0091; 6.2157; 15.4618 90; 123.549; 90	2083.22	Rajkumar, Sundaram; Clarkson, Guy J.; Shipman, Michael Regio- and Stereocontrolled Synthesis of 3-Substituted 1,2-Diazetidines by Asymmetric Allylic Amination of Vinyl Epoxide. Organic letters, 2017, 19, 2058-2061
1545936	CIF	C11 H21 N3	P 1 21/c 1	10.4021; 11.1735; 21.729 90; 98; 90	2500.9	Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay Synthesis and Reactivity of 1-Allenyltriazenes. Organic letters, 2017, 19, 2070-2073
1545937	CIF	C16 H23 N3	P c a 21	10.4082; 7.7785; 19.6994 90; 90; 90	1594.87	Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay Synthesis and Reactivity of 1-Allenyltriazenes. Organic letters, 2017, 19, 2070-2073
1545938	CIF	C26 H48 O2 Si	P 1 21/c 1	27.621; 7.7207; 12.441 90; 91.434; 90	2652.3	Werner, Bettina; Kalesse, Markus Pinacol Coupling Strategy for the Construction of the Bicyclo[6.4.1]tridecane Framework of Schiglautone A. Organic letters, 2017, 19, 1524-1526
1545939	CIF	C20 H23 N O3	P 1 21 1	8.69815; 8.99657; 11.2368 90; 99.4584; 90	867.365	Ding, Qiang; Wang, Qiuyan; He, Huan; Cai, Qian Asymmetric Synthesis of (-)-Pterocarine and (-)-Galeon via Chiral Phase Transfer-Catalyzed Atropselective Formation of Diarylether Cyclophane Skeleton. Organic letters, 2017, 19, 1804-1807
1545940	CIF	C26 H26 N2 O3 S	C 1 2/c 1	18.154; 19.79; 13.725 90; 112.371; 90	4560	Bai, Lu; Wang, Yan; Ge, Yicong; Liu, Jingjing; Luan, Xinjun Diastereoselective Synthesis of Dibenzo[b,d]azepines by Pd(II)-Catalyzed [5 + 2] Annulation of o-Arylanilines with Dienes. Organic letters, 2017, 19, 1734-1737
1545941	CIF	C12 H13 Cl O	C 1 2/c 1	39.96; 11.468; 28.37 90; 134.78; 90	9228	Shen, Yangyong; Huang, Bo; Zheng, Jing; Lin, Chen; Liu, Yu; Cui, Sunliang Csp-Csp(3) Bond Formation via Iron(III)-Promoted Hydroalkynylation of Unactivated Alkenes. Organic letters, 2017, 19, 1744-1747
1545942	CIF	C11 H14 O2	P 1 21/c 1	8.082; 23.635; 5.257 90; 100.75; 90	986.6	Liu, Wei; Ren, Wenlong; Li, Jingfu; Shi, Yuan; Chang, Wenju; Shi, Yian A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid. Organic letters, 2017, 19, 1748-1751
1545943	CIF	C17 H12 Cl N O	P 1 21/c 1	9.793; 12.819; 11.666 90; 109.278; 90	1382.4	Wang, Shun; Guo, Yong-Qiang; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui K2CO3-Mediated Cyclization and Rearrangement of γ,δ-Alkynyl Oximes To Form Pyridols. Organic letters, 2017, 19, 1574-1577
1545944	CIF	C14 H14 N4 S	P 1 21 1	10.013; 5.4697; 11.876 90; 96.71; 90	646	Haidasz, Evan A.; Pratt, Derek A. Diazaphenoxazines and Diazaphenothiazines: Synthesis of the "Correct" Isomers Reveals They Are Highly Reactive Radical-Trapping Antioxidants. Organic letters, 2017, 19, 1854-1857
1545945	CIF	C60 H56 N4 O4	P 1 21/c 1	16.5759; 13.1086; 12.2124 90; 108.101; 90	2522.27	Tominaga, Masahide; Takahashi, Eri; Ukai, Hiroyuki; Ohara, Kazuaki; Itoh, Tsutomu; Yamaguchi, Kentaro Solvent-Dependent Self-Assembly and Crystal Structures of a Salen-Based Macrocycle. Organic letters, 2017, 19, 1508-1511
1545946	CIF	C19 H16 Cl2 N2 O4	P 21 21 21	6.4551; 13.9906; 19.732 90; 90; 90	1782.01	Gammack Yamagata, Adam D.; Dixon, Darren J. Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids. Organic letters, 2017, 19, 1894-1897
1545947	CIF	C19 H22 N2 O3	P 1 21 1	8.2596; 7.268; 13.7048 90; 102.076; 90	804.5	Gammack Yamagata, Adam D.; Dixon, Darren J. Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids. Organic letters, 2017, 19, 1894-1897
1545948	CIF	C12 H14 O5	P 1 21/n 1	14.5321; 4.2646; 17.6646 90; 96.996; 90	1086.6	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core. Organic letters, 2017, 19, 1870-1873
1545949	CIF	C15 H20 O5	C 1 2/c 1	36.172; 4.3144; 21.587 90; 125.607; 90	2739	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core. Organic letters, 2017, 19, 1870-1873
1545950	CIF	C18 H18 O4	P -1	12.6329; 15.5564; 16.0916 96.072; 105.849; 94.847	3003.75	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core. Organic letters, 2017, 19, 1870-1873
1545951	CIF	C7 H7 N O2 S	P 1 21/c 1	9.5486; 14.0756; 5.967 90; 105.349; 90	773.37	Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes. Organic letters, 2017, 19, 1694-1697
1545952	CIF	C26 H38 N4 O4 Si	C 1 2/c 1	26.0702; 10.9823; 21.191 90; 108.083; 90	5767.5	Wang, Taimin; Duan, Xiaoguang; Zhao, Hua; Zhai, Shengxian; Tao, Cheng; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin Asymmetric Total Synthesis of (-)-Aspidophylline A. Organic letters, 2017, 19, 1650-1653
1545953	CIF	C27 H26 N2 O4	P 21 21 21	7.9238; 11.0281; 25.0507 90; 90; 90	2189	Wang, Dan; Hou, Min; Ji, Yue; Gao, Shuanhu Total Synthesis of Scholarisine K and Alstolactine A. Organic letters, 2017, 19, 1922-1925
1545954	CIF	C27 H24 F3 N O3 S	P 21 21 21	5.3333; 19.6192; 23.4352 90; 90; 90	2452.1	Wang, Huamin; Zhou, Wei; Tao, Mengna; Hu, Anjing; Zhang, Junliang Functionalized Tetrahydropyridines by Enantioselective Phosphine-Catalyzed Aza-[4 + 2] Cycloaddition of N-Sulfonyl-1-aza-1,3-dienes with Vinyl Ketones. Organic letters, 2017, 19, 1710-1713
1545955	CIF	C22 H22 O6	P 1 21 1	5.521; 17.785; 9.852 90; 91.837; 90	966.9	Zhou, Weiping; Ni, Chunjie; Chen, Jiangfei; Wang, Dong; Tong, Xiaofeng Enantioselective Synthesis of 4H-Pyran via Amine-Catalyzed Formal (3 + 3) Annulation of δ-Acetoxy Allenoate. Organic letters, 2017, 19, 1890-1893
1545956	CIF	C17 H13 N O3 Se	P 1 21/c 1	18.8061; 5.9523; 13.3383 90; 90.605; 90	1493	Dana, Suman; Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin Ru(II)-Catalyzed C-H Functionalization on Maleimides with Electrophiles: A Demonstration of Umpolung Strategy. Organic letters, 2017, 19, 1902-1905
1545957	CIF	C32 H24 Br N3 O3	P 21 21 21	7.6027; 16.7807; 21.1178 90; 90; 90	2694.18	Liu, Jin-Yu; Zhao, Jing; Zhang, Jia-Lu; Xu, Peng-Fei Quaternary Carbon Center Forming Formal [3 + 3] Cycloaddition Reaction via Bifunctional Catalysis: Asymmetric Synthesis of Spirocyclohexene Pyrazolones. Organic letters, 2017, 19, 1846-1849
1545958	CIF	C23 H13 F3 N2 O	P 1 21/c 1	7.6208; 21.2775; 11.1815 90; 105.554; 90	1746.7	Zhang, Ting-Yu; Lin, Jun-Bing; Li, Quan-Zhe; Kang, Jun-Chen; Pan, Jin-Long; Hou, Si-Hua; Chen, Chao; Zhang, Shu-Yu Copper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids. Organic letters, 2017, 19, 1764-1767
1545959	CIF	C27 H34 O3	P -1	9.8361; 9.9871; 12.5171 98.404; 92.358; 94.506	1210.9	Zhang, Xiang-Zhi; Deng, Yu-Hua; Gan, Kang-Ji; Yan, Xu; Yu, Ke-Yin; Wang, Fang-Xin; Fan, Chun-An Tandem Spirocyclopropanation/Rearrangement Reaction of Vinyl p-Quinone Methides with Sulfonium Salts: Synthesis of Spirocyclopentenyl p-Dienones. Organic letters, 2017, 19, 1752-1755
1545960	CIF	C39 H24 N12 O7	P 1 21/c 1	27.36; 6.8093; 25.381 90; 112.41; 90	4371.4	Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70. Organic letters, 2017, 19, 1590-1593
1545961	CIF	C60 H48 Cl6 N6 O6	P -1	11.034; 13.836; 19.748 105.366; 101.194; 101.131	2754.9	Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70. Organic letters, 2017, 19, 1590-1593
1545962	CIF	C20 H11 Br S	P 1 21/n 1	5.1414; 15.2261; 18.358 90; 97.59; 90	1424.5	Ozaki, Kyohei; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-Extension (APEX) of Heteroarenes with Dibenzosiloles and Dibenzogermoles by Palladium/o-Chloranil Catalysis. Organic letters, 2017, 19, 1930-1933
1545963	CIF	C23 H21 Br N2 O	P 1 21/n 1	9.5441; 7.5459; 27.2946 90; 96.595; 90	1952.72	Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Rundell, Christopher D.; Shannon, Jonathan; Tizzard, Graham J. Base-Controlled Diastereoselective Synthesis of Either anti- or syn-β-Aminonitriles. Organic letters, 2017, 19, 1918-1921
1545964	CIF	C32 H34 O10	P 1 21 1	9.4676; 15.2732; 12.2821 90; 96.493; 90	1764.61	Xiao, Zheming; Li, Yayue; Gao, Shuanhu Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A. Organic letters, 2017, 19, 1834-1837
1545965	CIF	C24 H25 N3 O5	P 1 21/c 1	11.0916; 8.5446; 23.4141 90; 95.772; 90	2207.8	Wang, Chunyu; Wang, Zhonglei; Xie, Xiaoni; Yao, Xiaotong; Li, Guang; Zu, Liansuo Total Synthesis of (±)-Grandilodine B. Organic letters, 2017, 19, 1828-1830
1545966	CIF	C16 H17 N O4	P 1 21 1	10.666; 6.294; 11.33 90; 109.47; 90	717.1	Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun Synthesis of the ABC Tricyclic System of Daphnicyclidin A. Organic letters, 2017, 19, 1497-1499
1545967	CIF	C21 H20 F3 N O2 S	P -1	9.0447; 10.6072; 11.4907 70.444; 89.544; 67.304	949.01	Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes. Organic letters, 2017, 19, 1674-1677
1545968	CIF	C18 H19 Br F3 N O2 S	P n a 21	7.1072; 23.128; 10.8794 90; 90; 90	1788.3	Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes. Organic letters, 2017, 19, 1674-1677
1545969	CIF	C21 H20 F3 N O2 S	P 1 21/c 1	23.234; 33.003; 7.7417 90; 95.771; 90	5906	Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes. Organic letters, 2017, 19, 1674-1677
1545970	CIF	C10 H8 F3 N O2 S	P -1	7.4533; 8.8064; 9.0773 74.195; 68.403; 81.369	532.21	Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes. Organic letters, 2017, 19, 1674-1677
1545971	CIF	C33 H35 N O	P 61	21.1037; 21.1037; 10.4985 90; 90; 120	4049.3	Sun, Hui; Cui, Bin; Duan, Lili; Li, Yue-Ming Intramolecular Aminoalkoxylation of Unfunctionalized Olefins via Intramolecular Iodoamination and Aziridinium Ion Ring-Opening Sequence. Organic letters, 2017, 19, 1520-1523
1545972	CIF	C23 H17 Cl N2 O3	P 21 21 21	8.812; 11.495; 19.111 90; 90; 90	1935.83	Montesinos-Magraner, Marc; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R Hydroxy-Directed Enantioselective Hydroxyalkylation in the Carbocyclic Ring of Indoles. Organic letters, 2017, 19, 1546-1549
1545973	CIF	C41 H40 Cl2 N2 P2 Ru	P 1 21/n 1	11.188; 25.322; 16.401 90; 93.32; 90	4638.6	Wang, Zheng; Pan, Bing; Liu, Qingbin; Yue, Erlin; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua Efficient acceptorless dehydrogenation of secondary alcohols to ketones mediated by a PNN-Ru(ii) catalyst Catal. Sci. Technol., 2017, 7, 1654
1545974	CIF	C8 H14 B O3 P	P 21 21 21	6.2846; 11.2864; 14.5243 90; 90; 90	1030.22	Markley, Jana L.; Hanson, Paul R. P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols. Organic letters, 2017, 19, 2552-2555
1545975	CIF	C8 H14 B O3 P	P 21 21 21	6.2929; 11.2901; 14.454 90; 90; 90	1026.9	Markley, Jana L.; Hanson, Paul R. P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols. Organic letters, 2017, 19, 2552-2555
1545976	CIF	C60 H64 I2 N32 O14	P 1 21/c 1	17.0396; 27.7804; 34.0065 90; 90.253; 90	16097.4	Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert Cubane Arrives on the Cucurbituril Scene. Organic letters, 2017, 19, 2698-2701
1545977	CIF	C33 H36 N2 O6	P 21 21 21	8.7243; 12.504; 26.5448 90; 90; 90	2895.7	Ejima, Hirotaka; Wakita, Fumihiro; Imamura, Ryo; Kato, Takuya; Hosokawa, Seijiro Stereoselective Synthesis of Tabtoxinine-β-lactam by Using the Vinylogous Mukaiyama Aldol Reaction with Acetate-Type Vinylketene Silyl N,O-Acetal and α-Keto-β-lactam Organic Letters, 2017
1545978	CIF	C36 H72 Cu2.7 Li1.3 N4	P 1 21/c 1	11.6661; 22.7624; 15.2664 90; 108.677; 90	3840.48	Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017
1545979	CIF	C54 H104 Li6 N6 O6	P -1	11.8638; 12.043; 12.2033 82.499; 66.906; 72.489	1529.35	Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017
1545980	CIF	C46 H88 Cu0.21 Li5.79 N6 O4	P -1	7.9156; 13.4775; 13.8111 110.986; 94.546; 104.331	1309.7	Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017
1545981	CIF	C37 H88 Cu Li4 N9 O	P -1	11.9447; 13.7635; 16.4214 80.989; 78.164; 67.824	2437.5	Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017
1545982	CIF	C46 H88 Cu2 Li4 N6 O4	P -1	8.4118; 11.5807; 13.5645 98.376; 95.058; 94.955	1295.58	Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017
1545983	CIF	C24 H60 Br Li3 N6	P 1 21/c 1	17.7718; 12.1985; 17.2945 90; 118.237; 90	3303.09	Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017
1545984	CIF	C24 H60 Br Cu0.09 Li2.91 N6	P 1 21/c 1	17.7591; 12.2389; 17.2889 90; 118.227; 90	3310.9	Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity Chem. Sci., 2017
1545985	CIF	C24 H28 N4 O6	P 1 21/c 1	16.7641; 11.6113; 14.8749 90; 112.159; 90	2681.6	Nikolayevskiy, Herman; Tun, Kyaw Moe; Rablen, Paul R.; Ben Mamoun, Choukri; Herzon, Seth A complex stereochemical relay approach to the antimalarial alkaloid ocimicide A1. Evidence for a structural revision. Chem. Sci., 2017
1545986	CIF	C30 H44 N4 O6 Pd2 S2	P 1 21/n 1	13.3652; 18.9012; 14.5561 90; 104.314; 90	3563	St John-Campbell, Sahra; White, Andrew J. P.; Bull, James A. Single Operation Palladium Catalysed C(sp3)‒H Functionalisation of Tertiary Aldehydes: Investigations into Transient Imine Directing Groups Chem. Sci., 2017
1545987	CIF	C59 H39 Br4 N7 Zn	C 1 2/c 1	25.037; 9.586; 24.537 90; 120.09; 90	5095	Bertini, Federica; Glatz, Mathias; Gorgas, Nikolaus; Stoeger, Berthold; Peruzzini, Maurizio; Veiros, Luis Filipe F.; Kirchner, Karl; Gonsalvi, Luca Carbon Dioxide Hydrogenation Catalysed by Well-defined Mn(I) PNP Pincer Hydride Complexes Chem. Sci., 2017
1545988	CIF	C39 H50 Au F8 I2 K N4 O12.5	P -1	9.048; 15.1904; 19.1737 73.9435; 78.7765; 88.9763	2482.2	Christopherson, Jan-Constantin; Potts, Karlie P.; Bushuyev, Oleksandr S.; Topić, Filip; Huskic, Igor; Rissanen, Kari; Barrett, Christopher J.; Friščić, Tomislav Assembly and dichroism of a four-component halogen-bonded metal-organic cocrystal salt solvate involving dicyanoaurate(I) acceptors Faraday Discuss., 2017
1545989	CIF	C61 H76 N2 O12	P 1 21/n 1	12.9848; 19.382; 22.2953 90; 99.8421; 90	5528.5	Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J. Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle Chem. Sci., 2017, 8, 3898
1545990	CIF	C61 H71 N3 O10	P b c a	17.819; 17.457; 34.337 90; 90; 90	10681	Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J. Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle Chem. Sci., 2017, 8, 3898
1545991	CIF	C31 H48 N4 O10 S	P 1 21/c 1	15.96905; 20.99152; 10.22172 90; 96.6779; 90	3403.22	Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing Helical Folding of Meta-Connected Aromatic Oligoureas. Organic letters, 2017, 19, 2666-2669
1545992	CIF	C46 H70 N6 O17	P -1	11.689; 14.24; 17.345 112.693; 101.236; 97.554	2543.5	Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing Helical Folding of Meta-Connected Aromatic Oligoureas. Organic letters, 2017, 19, 2666-2669
1545993	CIF	C22 H18 O2	P -1	7.689; 10.82; 11.135 100.707; 101.208; 106.471	842.4	Liang, Man; Zhang, Shuai; Jia, Jiong; Tung, Chen-Ho; Wang, Jianwu; Xu, Zhenghu Synthesis of Spiroketals by Synergistic Gold and Scandium Catalysis Organic Letters, 2017
1545994	CIF	C23 H17 Cl N2 O7 S	P -1	9.1593; 11.0566; 12.405 64.95; 76.98; 89.327	1103.85	Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T. Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides. Organic letters, 2017, 19, 2466-2469
1545995	CIF	C24 H17 N3 O7 S	I 1 2/a 1	13.7214; 9.2266; 34.566 90; 91.593; 90	4374.4	Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T. Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides. Organic letters, 2017, 19, 2466-2469
1545996	CIF	C25 H27 Cl2 N7 Ni O3	P 1 21/c 1	16.1455; 19.402; 9.224 90; 103.732; 90	2806.9	Dai, Zengjin; Luo, Qin; Jiang, Huan; Luo, Qi; Li, Hua; Zhang, Jing; Peng, Tianyou Ni(II)-N′NN′ Pincer Complexes Catalyzed Dehydrogenation of Primary Alcohols to Carboxylic acids and H2 Accompanied by the Alcohol Etherification Catal. Sci. Technol., 2017
1545997	CIF	C21 H23 N O6	P 21 21 21	8.76; 13.957; 16.322 90; 90; 90	1995.6	Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang Enantioselective Total Synthesis of (–)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids Chem. Sci., 2017
1545998	CIF	C40 H36 N3 O14	P 1 21 1	13.869; 9.736; 14.969 90; 105.103; 90	1951	Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang Enantioselective Total Synthesis of (‒)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids Chem. Sci., 2017
1545999	CIF	F7 Mn Tl Zr	P 1 21/m 1	6.45; 8.25; 6.459 90; 118; 90	303.5	Malika El-Ghozzi; Daniel Avignant; Maurice Guillot Synthesis, structures, and characterization of MMnZrF7 (M = Tl, Rb, NH4, K) fluorides : an example of 7-coordination of divalent manganese Journal of Solid State Chemistry, 1994, 108, 51-58
1546000	CIF	F7 Mn Rb Zr	P 1 21/m 1	6.439; 8.218; 6.443 90; 117.9; 90	301.3	Malika El-Ghozzi; Daniel Avignant; Maurice Guillot Synthesis, structures, and characterization of MMnZrF7 (M = Tl, Rb, NH4, K) fluorides : an example of 7-coordination of divalent manganese Journal of Solid State Chemistry, 1994, 108, 51-58
1546001	CIF	C15 H16 O3	P 1 21/n 1	7.8742; 12.2573; 13.1272 90; 107.166; 90	1210.55	Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang Toward the Total Synthesis of Eurifoloid A. Organic letters, 2017, 19, 2742-2745
1546002	CIF	C28 H30 N2	P -1	10.393; 11.0108; 11.0248 87.324; 66.406; 79.801	1137.5	Chi, Yue; Yan, Haihan; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis of Quinoline Derivatives via Cu-Catalyzed Cascade Annulation of Heterocumulenes, Alkynes, and Diaryliodonium Salts Organic Letters, 2017
1546003	CIF	C30 H25 N S	P 1 21/n 1	10.3505; 8.6159; 27.293 90; 99.307; 90	2401.9	Chi, Yue; Yan, Haihan; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis of Quinoline Derivatives via Cu-Catalyzed Cascade Annulation of Heterocumulenes, Alkynes, and Diaryliodonium Salts Organic Letters, 2017
1546004	CIF	C21 H33 N O6	P 1 21/c 1	5.7733; 9.1531; 41.7797 90; 91.716; 90	2206.8	Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate. Organic letters, 2017, 19, 2754-2757
1546005	CIF	C15 H23 N O4	P 1 21 1	9.4639; 6.1799; 13.1692 90; 90.131; 90	770.21	Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate. Organic letters, 2017, 19, 2754-2757
1546006	CIF	C15 H27 N O4	P 2 21 21	6.02696; 8.5237; 15.8573 90; 90; 90	814.62	Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate. Organic letters, 2017, 19, 2754-2757
1546007	CIF	C14 H14 N2 O	R -3 :H	28.764; 28.764; 7.479 90; 90; 120	5358.9	Purkait, Anisha; Roy, Subhra Kanti; Srivastava, Hemant Kumar; Jana, Chandan K. Metal-Free Sequential C(sp2)–H/OH and C(sp3)–H Aminations of Nitrosoarenes and N-Heterocycles to Ring-Fused Imidazoles Organic Letters, 2017
1546008	CIF	C45 H50 S2	C 1 2/c 1	20.986; 22.422; 7.9388 90; 103.263; 90	3635.9	Mitsudo, Koichi; Tanaka, Seiichi; Isobuchi, Ryota; Inada, Tomohiro; Mandai, Hiroki; Korenaga, Toshinobu; Wakamiya, Atsushi; Murata, Yasujiro; Suga, Seiji Rh-Catalyzed Dehydrogenative Cyclization Leading to Benzosilolothiophene Derivatives via Si–H/C–H Bond Cleavage Organic Letters, 2017
1546009	CIF	C19 H23 N O4	P 1 21/n 1	15.183; 6.7949; 16.513 90; 92.37; 90	1702.1	Krieger, Jean-Philippe; Lesuisse, Dominique; Ricci, Gino; Perrin, Marc-Antoine; Meyer, Christophe; Cossy, Janine Rhodium(III)-Catalyzed C-H Activation/Heterocyclization as a Macrocyclization Strategy. Synthesis of Macrocyclic Pyridones. Organic letters, 2017
1546010	CIF	C25 H27 Br N2 O4	P 1 21/c 1	13.452; 9.374; 19.421 90; 104.972; 90	2365.8	Zhang, Kaifan; Xu, Xiaoying; Zheng, Jiuan; Yao, Hequan; Huang, Yue; Lin, Aijun [3 + 3] Cycloaddition of in Situ Formed Azaoxyallyl Cations with 2-Alkenylindoles: An Approach to Tetrahydro-β-carbolinones. Organic letters, 2017
1546011	CIF	C27 H24 N2 O3	P 1 21/c 1	10.2888; 16.2882; 13.248 90; 91.491; 90	2219.4	Meher, Niranjan; Iyer, Parameswar K. Pendant chain engineering to fine-tune nanomorphology and solid state luminescence in naphthalimide AIEEgens: Application to phenolic nitro-explosive detection in water Nanoscale, 2017
1546012	CIF Paper	C12 H10 Cl I O4	P 1 21/c 1	12.232; 12.7073; 17.15 90; 103.5; 90	2592.1	Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4
1546013	CIF	C12 H10 F6 I P	P 1 21/n 1	5.9721; 12.9442; 18.387 90; 96.195; 90	1413.1	Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4
1546014	CIF	C33 H22 Cl2 F18 I2 O3	P -1	11.7183; 13.4322; 14.8978 113.429; 107.498; 101.366	1913	Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4
1546015	CIF	C36 H24 B0.5 Br5.5 F8	P 43 3 2	15.4248; 15.4248; 15.4248 90; 90; 90	3669.9	Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4
1546016	CIF	C36 H24 B Br3 Cl2 F10	P 41 3 2	15.2905; 15.2905; 15.2905 90; 90; 90	3574.9	Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4
1546017	CIF	C14 H12 B Br F4 O2	P -1	8.1574; 10.0848; 10.157 89.158; 72.819; 66.607	727.64	Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4
1546018	CIF	Ba F7 Fe Zn	P 1 21/c 1	5.603; 9.971; 9.584 90; 92.8; 90	534.8	Von H. Holler; D. Babel Crystal structure of a high temperature modification of barium-zinc-iron(III) fluoride BaZnFeF7 Zeitschrift fur anorganische und allgemeine Chemie, 1982, 491, 137-144
1546019	CIF	C30 H38 O8	P 21 21 21	9.2535; 11.5385; 24.9217 90; 90; 90	2660.93	Sriyatep, Teerayut; Andersen, Raymond J.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Seemakhan, Sawinee; Borwornpinyo, Suparerk; Laphookhieo, Surat Scalemic Caged Xanthones Isolated from the Stem Bark Extract of Garcinia propinqua. Journal of natural products, 2017, 80, 1658-1667
1546020	CIF	C14 H15 N O3	P 21 21 21	5.0478; 14.4096; 16.6991 90; 90; 90	1214.64	An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction. Organic letters, 2017, 19, 2925-2928
1546021	CIF	C15 H15 N O3	P 1 21/c 1	7.5525; 19.9782; 8.7575 90; 101.25; 90	1295.99	An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction. Organic letters, 2017, 19, 2925-2928
1546022	CIF	C18 H15 Br N2 O4	P 1 21 1	12.578; 22.365; 12.644 90; 107.727; 90	3388	Yang, Yu; Ren, Hong-Xia; Chen, Feng; Zhang, Zheng-Bing; Zou, Ying; Chen, Chao; Song, Xiang-Jia; Tian, Fang; Peng, Lin; Wang, Li-Xin Organocatalytic Asymmetric Annulation between Hydroxymaleimides and Nitrosoarenes: Stereoselective Preparation of Chiral Quaternary N-Hydroxyindolines Organic Letters, 2017
1546023	CIF	C11 H7 F5 N4 O	P 1 21/c 1	10.3109; 16.7247; 7.4603 90; 108.019; 90	1223.4	Cheung, Kelvin Pak Shing; Tsui, Gavin Chit Copper(I)-Catalyzed Interrupted Click Reaction with TMSCF3: Synthesis of 5-Trifluoromethyl 1,2,3-Triazoles Organic Letters, 2017
1546024	CIF	C63 H74 F10 O4 P Pd S	P -1	16.199; 18.065; 23.596 102.7; 107.741; 106.042	5961.7	Ingoglia, Bryan T.; Buchwald, Stephen L. Oxidative Addition Complexes as Precatalysts for Cross-Coupling Reactions Requiring Extremely Bulky Biarylphosphine Ligands. Organic letters, 2017, 19, 2853-2856
1546025	CIF	Ca2 O4 Si	P b n m	5.0762; 11.2136; 6.7583 90; 90; 90	384.699	Mumme, W.G.; Cranswick, L.; Chakoumakos, B. Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1996, 170, 171-188
1546026	CIF	Ca2 O4 Si	P n a 21	20.5266; 9.4963; 5.5897 90; 90; 90	1089.58	Mumme, W.G.; Cranswick, L.; Chakoumakos, B. Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1996, 170, 171-188
1546027	CIF	Ca2 O4 Si	P n m a	6.8709; 5.601; 9.5563 90; 90; 90	367.764	Mumme, W.G.; Cranswick, L.; Chakoumakos, B. Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1996, 170, 171-188
1546028	CIF	Ca2 O4 Si	P 63/m m c	5.532; 5.532; 7.327 90; 90; 120	194.187	Mumme, W.G.; Cranswick, L.; Chakoumakos, B. Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1996, 170, 171-188
1546029	CIF	Nb3 O9 Pr	P 1 21/c 1	5.3784; 7.602; 16.344 90; 92.21; 90	667.8	Torardi, C. C.; Brixner, L. H.; Foris, C. M. Structure and luminescence of the alpha-LnNb2O9-type rare earth niobates Journal of Solid State Chemistry, 1985, 58, 204-210
1546030	CIF	Cr2 F9 K Pb	P n m a	9.812; 5.412; 13.93 90; 90; 90	739.7	Vlasse, M.; Chaminade, J. P.; Dance, J. M.; Saux, M.; Hagenmuller, P. Structural and magnetic properties of KPbCr2F9 Journal of Solid State Chemistry, 1982, 41, 272-276
1546031	CIF	C21 H19 N O	P 1 21/n 1	10.0738; 7.7949; 20.89 90; 99.429; 90	1618.2	Long, Jinguo; Cao, Xin; Zhu, Longzhi; Qiu, Renhua; Au, Chak-Tong; Yin, Shuang-Feng; Iwasaki, Takanori; Kambe, Nobuaki Intramolecular, Site-Selective, Iodine-Mediated, Amination of Unactivated (sp(3))C-H Bonds for the Synthesis of Indoline Derivatives. Organic letters, 2017, 19, 2793-2796
1546032	CIF	C26 H26 N2 O4 S2	P 1 21/n 1	12.7471; 12.3553; 15.5929 90; 101.189; 90	2409.1	Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines. Organic letters, 2017, 19, 2813-2816
1546033	CIF	C27 H28 N2 O4 S2	P -1	8.1304; 12.3569; 12.7925 82.084; 86.551; 72.325	1212.65	Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines. Organic letters, 2017, 19, 2813-2816
1546034	CIF	Ca O4 W	I 41/a :2	5.205; 5.205; 11.275 90; 90; 90	305.46	Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G. Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171
1546035	CIF	Ca O4 W	I 1 2/a 1	5.069; 10.851; 5.081 90; 90.091; 90	279.47	Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G. Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171
1546036	CIF	O4 Sr W	I 41/a :2	5.391; 5.391; 11.893 90; 90; 90	345.64	Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G. Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171
1546037	CIF	O4 Sr W	I 1 2/a 1	5.263; 11.182; 5.231 90; 90.35; 90	307.84	Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G. Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171
1546038	CIF	C32 H38 P2 S2	P -1	9.9187; 11.151; 15.866 73.63; 73.24; 67.98	1528	Okugawa, Yuto; Hirano, Koji; Miura, Masahiro Brønsted Base Mediated Stereoselective Diphosphination of Terminal Alkynes with Diphosphanes Organic Letters, 2017
1546039	CIF	C94.67 H110.34 O17.84	P 1 21/c 1	27.6554; 26.5185; 26.1889 90; 94.414; 90	19149.4	Hayase, Norihiko; Miyauchi, Yuta; Aida, Yukimasa; Sugiyama, Haruki; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken Synthesis of [8]Cycloparaphenylene-octacarboxylates via Rh-Catalyzed Stepwise Cross-Alkyne Cyclotrimerization Organic Letters, 2017
1546040	CIF	C37 H68 N4 O5 Si2	P 21 21 21	12.6926; 21.4026; 47.9632 90; 90; 90	13029.4	Fanelli, Roberto; Berthomieu, Dorothée; Didierjean, Claude; Doudouh, Abdelatif; Lebrun, Aurélien; Martinez, Jean; Cavelier, Florine Hydrophobic α,α-Disubstituted Disilylated TESDpg Induces Incipient 310-Helix in Short Tripeptide Sequence Organic Letters, 2017
1546041	CIF	C18 H18 Cl N3 O	P 1 21 1	11.6963; 7.8375; 18.213 90; 96.443; 90	1659	Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes Chem. Sci., 2017
1546042	CIF	C22 H31 B2 Br O4	P 1 21 1	11.1006; 6.9951; 30.827 90; 94.93; 90	2384.9	Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes Chem. Sci., 2017
1546043	CIF	C9 H6 O2	P 21 21 21	24.72245; 5.994222; 14.31013 90; 90; 90	2120.64	Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017
1546044	CIF	C9 H6 O2	P 21 21 21	16.78223; 5.92141; 13.85224 90; 90; 90	1376.56	Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017
1546045	CIF	C9 H6 O2	P 21 21 21	17.06176; 6.03613; 13.9083 90; 90; 90	1432.4	Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017
1546046	CIF	C9 H6 O2	P 21 21 21	24.27024; 5.92062; 14.18934 90; 90; 90	2038.94	Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017
1546047	CIF	C9 H6 O2	P 21 21 21	4.86771; 6.88178; 20.8508 90; 90; 90	698.47	Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017
1546048	CIF	C9 H6 O2	P 1 21 1	3.97954; 15.2907; 5.8583 90; 94.237; 90	355.5	Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017
1546049	CIF	C9 H12 Cl N O3	P 1 21 1	13.5539; 5.4096; 15.0157 90; 108.421; 90	1044.56	Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017
1546050	CIF	C9 H11 F2 N O3	P 1 21 1	13.1; 5.4019; 14.423 90; 100.712; 90	1002.9	Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017
1546051	CIF	C9 H12 Br N O3	P 1 21 1	6.3036; 5.3042; 15.9161 90; 97.947; 90	527.05	Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017
1546052	CIF	C9 H12 F N O3	P 1 21 1	13.3028; 5.4628; 14.0151 90; 104.048; 90	988.02	Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017
1546053	CIF	C9 H12 I N O3	P 21 21 21	5.3139; 6.3152; 32.741 90; 90; 90	1098.73	Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017
1546054	CIF	C20 H36 Br2 I6 N4 Ru	P 1 21/n 1	9.2035; 11.3936; 18.5083 90; 103.339; 90	1888.4	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546055	CIF	C36 H36 Cl2 N4 Ru	P 4 n c	13.906; 13.906; 8.6877 90; 90; 90	1680	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546056	CIF	C36 H36 Br2 I2 N4 Ru	P -1	9.563; 10.473; 10.744 67.46; 79.07; 74.903	954.7	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546057	CIF	C36 H36 Br4 N4 Ru	P -1	9.789; 11.319; 17.303 89.362; 76.377; 85.007	1856.1	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546058	CIF	C20 H36 Br6 N4 Ru	P 42/m n m	11.3121; 11.3121; 13.6918 90; 90; 90	1752.1	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546059	CIF	C36 H36 I4 N4 Ru	P -1	9.616; 10.4083; 11.1012 68.06; 78.128; 72.29	976.42	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546060	CIF	C36 H36 Cl2.17 I3.83 N4 Ru	P -1	7.918; 10.314; 13.411 92.609; 100.426; 102.641	1046.89	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546061	CIF	C36 H36 Cl2 I2 N4 Ru	P -1	9.5548; 10.4967; 10.5869 67.342; 80.018; 75.957	946.8	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546062	CIF	C36 H36 Br2 Cl2 N4 Ru	P -1	9.567; 10.4897; 10.691 67.358; 79.414; 75.292	953.31	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546063	CIF	C36 H38 Br2 N4 O Ru	C 1 2/c 1	16.5219; 13.6105; 17.4958 90; 116.603; 90	3517.8	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546064	CIF	C20 H36 I8 N4 Ru	P 1 21/n 1	10.8205; 10.0771; 18.3892 90; 104.044; 90	1945.2	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546065	CIF	C20 H36 Br2 N4 Ru	C 1 2/c 1	16.6612; 9.776; 18.368 90; 115.466; 90	2701.1	Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss., 2017
1546066	CIF	C25 H24 B Cl2 Cu F4 N6	P 1 21/n 1	11.15632; 11.63305; 22.483 90; 102.758; 90	2845.85	Lalevée, Jacques; Dietlin, Céline; Morlet-Savary, Fabrice; Fouassier, Jean Pierre; Gigmes, Didier; Dumur, Frederic; Kermagoret, Anthony; Garra, Patxi; Mousawi, Assi New copper (I) complex based initiating systems in redox polymerization and comparison with amine/benzoyl peroxide reference Polym. Chem., 2017
1546067	CIF	C52 H49 B Cu F4 N3 O2 P2	P 1 21/c 1	12.3268; 21.2128; 19.3122 90; 104.764; 90	4883.1	Lalevée, Jacques; Dietlin, Céline; Morlet-Savary, Fabrice; Fouassier, Jean Pierre; Gigmes, Didier; Dumur, Frederic; Kermagoret, Anthony; Garra, Patxi; Mousawi, Assi New copper (I) complex based initiating systems in redox polymerization and comparison with amine/benzoyl peroxide reference Polym. Chem., 2017
1546068	CIF	C109 H90 B Cl6 O Os P3	P -1	13.8163; 18.0472; 18.3229 79.946; 89.601; 82.37	4458.1	He, Xumin; He, Xiehua; Li, Shenyan; Zhuo, Kaiyue; Qin, Weixiang; Dong, Shuyu; Chen, Jiangxi; Ren, Lei; Liu, Gang; Xia, Haiping Amphipathic Metal-Containing Macromolecules with Photothermal Properties Polym. Chem., 2017
1546069	CIF	C24 H47 N11 O13	P 1 21/c 1	9.11756; 21.6446; 17.9917 90; 98.128; 90	3514.92	Marafon, Giulia; Menegazzo, Ileana; De Zotti, Marta; Crisma, Marco; Toniolo, Claudio; Moretto, Alessandro Tuning morphological architectures generated through living supramolecular assembly of a helical foldamer end-capped with two complementary nucleobases. Soft matter, 2017
1546070	CIF	C31 H46 N6 O8	P 1 21/n 1	10.7942; 18.8139; 16.8871 90; 98.486; 90	3391.9	Marafon, Giulia; Menegazzo, Ileana; De Zotti, Marta; Crisma, Marco; Toniolo, Claudio; Moretto, Alessandro Tuning morphological architectures generated through living supramolecular assembly of a helical foldamer end-capped with two complementary nucleobases. Soft matter, 2017
1546071	CIF	Al2 F12 Pb3	P 1 21/n 1	9.435; 9.61; 10.1 90; 90.59; 90	915.7	Decap, G.; Retoux, R.; Calage, Y. Pb3Al2F12 : Crystal structure of a cyclo-fluoroaluminate related to Ba3Al2F12 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 1449-1454
1546072	CIF	C23 H18 O4 S	P 1 21/c 1	13.939; 11.8628; 12.342 90; 105.579; 90	1965.8	Wu, Wanqing; Yi, Songjian; Huang, Wei; Luo, Di; Jiang, Huanfeng Ag-Catalyzed Oxidative Cyclization Reaction of 1,6-Enynes and Sodium Sulfinate: Access to Sulfonylated Benzofurans. Organic letters, 2017, 19, 2825-2828
1546073	CIF	C24 H23 N O6	P 1 21/c 1	9.6711; 19.4443; 11.2024 90; 95.091; 90	2098.3	Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H. Organic letters, 2017, 19, 2965-2968
1546074	CIF	C24 H25 N O4	C 1 2/c 1	25.91; 11.234; 17.776 90; 126.13; 90	4179	Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H. Organic letters, 2017, 19, 2965-2968
1546075	CIF	C19 H21 N O5	P 1 21/c 1	8.4092; 18.977; 21.008 90; 92.133; 90	3350.2	Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H. Organic letters, 2017, 19, 2965-2968
1546076	CIF	C24 H25 N O5	P -1	7.5258; 11.7781; 12.4974 80.639; 77.851; 78.666	1053.3	Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H. Organic letters, 2017, 19, 2965-2968
1546077	CIF	C24 H22 Br N O5	P 1 21/n 1	10.1412; 18.601; 11.3292 90; 91.857; 90	2136	Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H. Organic letters, 2017, 19, 2965-2968
1546078	CIF	C38 H30 N2 O2 S	P 1 21/c 1	11.0551; 16.7135; 16.0419 90; 90.679; 90	2963.8	Shin, Jinhwan; Lee, Jiyoun; Ko, Donguk; De, Nirupam; Yoo, Eun Jeong Synthesis of Fused Polycyclic 1,4-Benzodiazepines via Metal-Free Cascade [5 + 2]/[2 + 2] Cycloadditions. Organic letters, 2017
1546079	CIF	C25 H24 O2	P -1	7.611; 11.49; 11.506 105.352; 94.19; 109.278	901.5	Xie, Jiaxin; Wang, Jianchun; Dong, Guangbin Synthetic Study of Phainanoids. Highly Diastereoselective Construction of the 4,5-Spirocycle via Palladium-Catalyzed Intramolecular Alkenylation. Organic letters, 2017, 19, 3017-3020
1546080	CIF	C56 H48 Br6 Fe2 N8 O16 Zn3	P 32 2 1	12.8153; 12.8153; 38.817 90; 90; 120	5520.9	Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios [MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands. Chem. Sci., 2017
1546081	CIF	C56 H48 Br6 Cr2 N6 O14 Zn3	P 32 2 1	13.2429; 13.2429; 38.38 90; 90; 120	5829.1	Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios [MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands. Chem. Sci., 2017
1546082	CIF	C54 H48 Cl6 Co3 Fe2 N6 O12	P 32 2 1	12.7708; 12.7708; 39.0709 90; 90; 120	5518.5	Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios [MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands. Chem. Sci., 2017
1546083	CIF	C158 H194 Cr2 F18 N6 O47 P6 Pd3 S6	P -1	18.4407; 22.0037; 27.1925 104.146; 109.298; 95.522	9907.3	Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios [MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands. Chem. Sci., 2017
1546084	CIF	C23 H32 O4	P 21 21 21	11.014; 13.291; 13.869 90; 90; 90	2030.2	Zhao, Jinlian; Feng, Jiamin; Tan, Zhen; Liu, Jimei; Zhao, Jianyuan; Chen, Ridao; Xie, Kebo; Zhang, Dewu; Li, Yan; Yu, Liyan; Chen, Xiaoguang; Dai, Jungui Stachybotrysins A–G, Phenylspirodrimane Derivatives from the Fungus Stachybotrys chartarum Journal of Natural Products, 2017
1546085	CIF	C21 H25 N O4 S	P 1 21/n 1	7.0338; 11.9216; 24.1813 90; 91.725; 90	2026.78	Zheng, Nan; Zhang, Lijie; Gong, Jianxian; Yang, Zhen Formal Total Synthesis of (±)-Lycojaponicumin C Organic Letters, 2017
1546086	CIF	C15 H11 Cl O	P 21 21 21	5.8858; 13.567; 15.5282 90; 90; 90	1239.97	Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines. Organic letters, 2017, 19, 2997-3000
1546087	CIF	C22 H24 Br N O3 S	P 21 21 21	9.73; 10.167; 21.994 90; 90; 90	2175.8	Ueda, Hiroki; Masutomi, Koji; Shibata, Yu; Tanaka, Ken Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cyclization of 1,6-Enynes with Aliphatic and Aromatic Alkenes. Organic letters, 2017, 19, 2913-2916
1546088	CIF	C53 H43 B Cl3 F2 N3 O8	P -1	8.332; 16.762; 18.465 114.14; 92.762; 92.985	2343.3	Sheng, Wanle; Zheng, Yu-Qing; Wu, Qinghua; Wu, Yayang; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong; Wang, Jie-Yu; Pei, Jian Synthesis, Properties, and Semiconducting Characteristics of BF2 Complexes of β,β-Bisphenanthrene-Fused Azadipyrromethenes. Organic letters, 2017, 19, 2893-2896
1546089	CIF	C52.5 H47 B Cl F2 N3 O8	P 1 2/c 1	12.926; 11.204; 19.694 90; 123; 90	2392	Sheng, Wanle; Zheng, Yu-Qing; Wu, Qinghua; Wu, Yayang; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong; Wang, Jie-Yu; Pei, Jian Synthesis, Properties, and Semiconducting Characteristics of BF2 Complexes of β,β-Bisphenanthrene-Fused Azadipyrromethenes. Organic letters, 2017, 19, 2893-2896
1546090	CIF	C130 H56 N4 Ni S0 U	C 1 2/m 1	25.0308; 15.3288; 19.941 90; 93.983; 90	7632.7	Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U Chem. Sci., 2017
1546091	CIF	C122 H56 N4 Ni U	C 1 2/c 1	25.102; 14.9208; 38.636 90; 94.044; 90	14435	Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U Chem. Sci., 2017
1546092	CIF	C128 H53 N4 Ni S2 U	P 1 21/c 1	17.7846; 17.2807; 26.6533 90; 107.376; 90	7817.6	Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U Chem. Sci., 2017
1546093	CIF	C15 H10 O2	P c a 21	24.2286; 5.6429; 7.6125 90; 90; 90	1040.78	Jhun, Byung Hak; Yi, Seung Yeon; Jeong, Donghyun; Cho, Jaeheung; Park, Soo Young; You, Youngmin Aggregation of an n–π* Molecule Induces Fluorescence Turn-on The Journal of Physical Chemistry C, 2017, 121, 11907
1546094	CIF	C21 H21 N O3 S	P 1 21 1	9.8947; 8.25; 12.8004 90; 110.44; 90	979.12	Lin, Tao-Yan; Wu, Hai-Hong; Feng, Jian-Jun; Zhang, Junliang Transfer of Chirality in the Rhodium-Catalyzed Chemoselective and Regioselective Allylic Alkylation of Hydroxyarenes with Vinyl Aziridines. Organic letters, 2017, 19, 2897-2900
1546095	CIF	C42 H49 N O4	P 1 21 1	9.9619; 24.0179; 15.5925 90; 101.3; 90	3658.4	Tlustý, Martin; Slavík, Petr; Kohout, Michal; Eigner, Václav; Lhoták, Pavel Inherently Chiral Upper-Rim-Bridged Calix[4]arenes Possessing a Seven Membered Ring. Organic letters, 2017
1546096	CIF	C21 H19 N O4	P 1 21 1	8.3201; 7.3604; 14.5839 90; 105.938; 90	858.78	Kumar, Mukesh; Chauhan, Pankaj; Valkonen, Arto; Rissanen, Kari; Enders, Dieter Asymmetric Synthesis of Functionalized Tricyclic Chromanes via an Organocatalytic Triple Domino Reaction. Organic letters, 2017, 19, 3025-3028
1546097	CIF	C14 H13 F6 N O2	P 1 21/c 1	15.0424; 9.1167; 42.181 90; 96.995; 90	5741.5	Gietter-Burch, Amber A S; Devannah, Vijayarajan; Watson, Donald A. Trifluoromethylation of Secondary Nitroalkanes. Organic letters, 2017, 19, 2957-2960
1546098	CIF	C20 H30 O9	P 65	18.6492; 18.6492; 12.5645 90; 90; 120	3784.4	Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia. Organic letters, 2017, 19, 3029-3032
1546099	CIF	C20 H36 O11	P 32 2 1	17.1874; 17.1874; 42.085 90; 90; 120	10766.6	Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia. Organic letters, 2017, 19, 3029-3032
1546100	CIF	C21 H16 N2 O5 Zn	P 1 21/c 1	11.3928; 15.6359; 16.3018 90; 96.451; 90	2885.56	Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A. Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks Dalton Transactions, 2017, 46, 8198-8203
1546101	CIF	C21 H18 N2 O5 Zn	P b a m	16.496; 15.8918; 11.4039 90; 90; 90	2989.5	Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A. Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks Dalton Transactions, 2017, 46, 8198-8203
1546102	CIF	C21 H18 N2 O5 Zn	P -1	9.9902; 11.4259; 12.1064 109.285; 108.208; 97.69	1194.98	Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A. Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks Dalton Transactions, 2017, 46, 8198-8203
1546103	CIF	C20 H16 N2 O5 Zn	P -1	10.0944; 10.3898; 10.493 65.925; 75.649; 76.069	961.2	Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A. Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks Dalton Transactions, 2017, 46, 8198-8203
1546104	CIF	C21 H51.5 La N3 O19.75	P -1	10.8019; 11.2323; 15.296 73.963; 79.565; 73.194	1697.1	Weekes, David M.; Cawthray, Jacqueline F.; Rieder, Meghanne; Syeda, Jaweria; Ali, Munawar; Wasan, Ellen; Kostelnik, Tom Kostelnik; Patrick, Brian O.; Panahifar, A.; Cooper, David M.L.; Al-Dissi, Ahmad; Wasan, Kishor; Orvig, Chris La(III) biodistribution profiles from intravenous and oral dosing of two lanthanum complexes, La(dpp)3 and La(XT), and evaluation as treatments for bone resorption disorders Metallomics, 2017
1546105	CIF	Cu3 H4 O8 Se	P n m a	8.382; 6.087; 12.285 90; 90; 90	626.8	Gerald Giester Crystal structure of synthetic Cu3SeO4(OH)4 Monatshefte fur Chemie, 1991, 122, 229-234
1546106	CIF	C17 H27 N O3.5	P -4 21 c	21.2016; 21.2016; 7.9468 90; 90; 90	3572.1	Shymanska, Nataliia V.; Pierce, Joshua G. Stereoselective Synthesis of Quaternary Pyrrolidine-2,3-diones and β-Amino Acids. Organic letters, 2017, 19, 2961-2964
1546107	CIF	C32 H42 O5	P 21 21 21	9.3051; 12.8967; 23.172 90; 90; 90	2780.76	Zhang, Ya-Long; Zhou, Xu-Wei; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Yin, Yong; Luo, Jian-Guang; Kong, Ling-Yi Xylopiana A, a Dimeric Guaiane with a Case-Shaped Core from Xylopia vielana: Structural Elucidation and Biomimetic Conversion. Organic letters, 2017, 19, 3013-3016
1546108	CIF	C26 H28 N2 O3	P -1	10.294; 10.7033; 12.376 69.312; 79.586; 66.46	1168.2	Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions Chem. Sci., 2017
1546109	CIF	C16 H15 N O3	P 32	13.9065; 13.9065; 6.0548 90; 90; 120	1014.07	Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions Chem. Sci., 2017
1546110	CIF	C28 H24 Cl2 N2 O2	P 1 21 1	16.42; 5.9044; 25.212 90; 90.487; 90	2444.2	Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions Chem. Sci., 2017
1546111	CIF	C17 H17 N O4	P 1 21 1	8.48; 5.698; 15.656 90; 93.2; 90	755.3	Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions Chem. Sci., 2017
1546112	CIF	C27 H24 N4 O2	C 1 c 1	33.1101; 8.5492; 16.653 90; 99.906; 90	4643.6	Basu Roy, Sohini; Prodhan, Chandraday; Chaudhuri, Keya; Rajak, Kajal Krishna A benzimidazole-based chemodosimeter for the fluorometric detection of Zn and Cu via 1,5 proton shifts and C‒N bond cleavage Photochem. Photobiol. Sci., 2017
1546113	CIF	C24 H18 B F10 N	P -4 21 c	22.206; 22.206; 8.692 90; 90; 90	4286.1	Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4
1546114	CIF	C24 H18 B F10 N	P -4 21 c	22.206; 22.206; 8.692 90; 90; 90	4286.1	Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4
1546115	CIF	C20 H23 P S	P b c a	10.9323; 14.5698; 21.091 90; 90; 90	3359.4	Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4
1546116	CIF	C20 H23 P S	P b c a	10.932; 14.57; 21.091 90; 90; 90	3359.4	Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4
1546117	CIF	C32 H53 B10 O2 P3 Ru	P -1	12.5744; 15.5222; 19.5052 88.259; 81.988; 89.388	3768.1	Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. Rapid Reversible Borane to Boryl Hydride Exchange by Metal Shuttling on the Carborane Cluster Surface Chem. Sci., 2017
1546118	CIF	C32 H52 B10 Cl O2 P3 Ru	P 1 21/n 1	12.4465; 23.0308; 13.2665 90; 96.239; 90	3780.4	Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. Rapid Reversible Borane to Boryl Hydride Exchange by Metal Shuttling on the Carborane Cluster Surface Chem. Sci., 2017
1546119	CIF	C67.59 H76.99 N12	P 21 21 21	11.1553; 19.49; 30.332 90; 90; 90	6595	Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I. Chirality as a tool for function in porous organic cages. Nanoscale, 2017, 9, 6783-6790
1546120	CIF	C142.09 H188.18 Cl5.5 N24 O9.92	P 3 2 1	17.5575; 17.5575; 28.6921 90; 90; 120	7659.8	Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I. Chirality as a tool for function in porous organic cages. Nanoscale, 2017, 9, 6783-6790
1546121	CIF	C130 H160.5 N24 O15.25	P 21 3	24.318; 24.318; 24.318 90; 90; 90	14381	Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I. Chirality as a tool for function in porous organic cages. Nanoscale, 2017, 9, 6783-6790
1546122	CIF	C151 H214 Cl2 N24 O10	P 63	17.5938; 17.5938; 32.2344 90; 90; 120	8641.1	Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I. Chirality as a tool for function in porous organic cages. Nanoscale, 2017, 9, 6783-6790
1546123	CIF	C10 H18 O4	P 21 21 2	19.296; 8.0943; 6.9478 90; 90; 90	1085.16	Wang, Ling-Yan; Chen, Ming-Hua; Wu, Jiang; Sun, Hua; Liu, Wei; Qu, Yu-Hong; Li, Yan-Cheng; Wu, Yu-Zhuo; Li, Rui; Zhang, Dan; Wang, Su-Juan; Lin, Sheng Bioactive Glycosides from the Twigs of Litsea cubeba. Journal of natural products, 2017, 80, 1808-1818
1546124	CIF	C24 H23 N3 O3 S	P b c a	15.862; 15.219; 18.723 90; 90; 90	4519.8	Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles. Organic letters, 2017, 19, 3307-3310
1546125	CIF	C21 H22 Cl5 Mg N3 O	C 1 2/c 1	24.0022; 8.6136; 25.556 90; 116.047; 90	4747	Rosen, Tomer; Goldberg, I.; Navarra, Wanda; Venditto, Vincenzo; Kol, Moshe Divergent [{ONNN}Mg-Cl] complexes in the highly active and living lactide polymerization Chem. Sci., 2017
1546126	CIF	C47 H54 Cl12 Mg2 N6 O2	C 1 2/c 1	27.298; 14.9001; 16.8775 90; 124.63; 90	5648.6	Rosen, Tomer; Goldberg, I.; Navarra, Wanda; Venditto, Vincenzo; Kol, Moshe Divergent [{ONNN}Mg-Cl] complexes in the highly active and living lactide polymerization Chem. Sci., 2017
1546127	CIF	F19 Fe3 Sr5	I 4/m	14.294; 14.294; 7.307 90; 90; 90	1493	Graulich, J.; Babel, D. Zweikernige aniongruppen [Fe2F10]4- in der kristallstruktur von Sr5Fe3F19 Zeitschrift fur anorganische und allgemeine Chemie, 1991, 597, 51-59
1546128	CIF	C117.06 H104.25 I12 N25.11 O10.05 Zn6	C 1 2 1	34.9084; 14.9228; 29.6669 90; 101.028; 90	15169	Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method Chem. Sci., 2017
1546129	CIF	C132.77 H138.74 I12 N24 O9.74 Zn6	C 1 2 1	36.0217; 14.6919; 30.6728 90; 101.672; 90	15897.2	Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method Chem. Sci., 2017
1546130	CIF	C100.85 H95.62 Cl11.35 I12.03 N24.48 O2.88 S0.48 Zn6	C 1 2 1	33.9973; 14.9225; 31.1158 90; 101.047; 90	15493.3	Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method Chem. Sci., 2017
1546131	CIF	C122.98 H117.96 I12 N28 Zn6	C 1 2 1	34.869; 14.9135; 31.5649 90; 102.275; 90	16039.1	Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method Chem. Sci., 2017
1546132	CIF	C136.11 H131.89 I12 N27.41 Zn6	C 1 2 1	36.1897; 14.6874; 34.7427 90; 109.742; 90	17381.5	Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method Chem. Sci., 2017
1546133	CIF	C18 H22 B10 N2	P b c a	12.0727; 12.564; 26.304 90; 90; 90	3989.8	Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017
1546134	CIF	C38 H38 B10 Cl2 F10 Ir N4 P	C 1 2/c 1	41.094; 11.9824; 19.1819 90; 108.189; 90	8973.3	Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017
1546135	CIF	C14 H28 B20 N2	C 1 2/c 1	30.853; 6.836; 12.622 90; 106.229; 90	2556	Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017
1546136	CIF	C40 H34 B10 Cl0 F10 Ir N4 P	P -1	10.4515; 13.4143; 18.7342 96.628; 97.799; 105.863	2470.87	Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017
1546137	CIF	C40 H42 B10 Cl4 F10 Ir N4 P	P 1 21/n 1	10.3413; 19.9619; 23.794 90; 94.892; 90	4894	Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017
1546138	CIF	C35 H27 Cl2 F10 Ir N4 O0.5 P	P 21 21 21	9.6791; 12.7772; 28.988 90; 90; 90	3585	Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017
1546139	CIF	C34 H29 B10 F10 Ir N4 O0 P	P 1 21/c 1	19.439; 11.727; 19.346 90; 100.293; 90	4339.2	Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017
1546140	CIF	C36 H34 B10 Cl2 F10 Ir N4 P	P 1 2/c 1	17.3958; 12.1322; 24.263 90; 106.755; 90	4903.3	Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017
1546141	CIF	C35 H32 B10 F10 Ir N4 P	P 1 21/c 1	19.3966; 11.8557; 19.0311 90; 99.693; 90	4313.9	Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017
1546142	CIF	C20 H30 N4 O5	P 21 21 21	9.8604; 12.364; 15.752 90; 90; 90	1920.4	Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii. Journal of natural products, 2017, 80, 1935-1938
1546143	CIF	C20 H24 N4 O5	P 21 21 21	9.4557; 12.8247; 15.429 90; 90; 90	1871	Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii. Journal of natural products, 2017, 80, 1935-1938
1546144	CIF	C20 H20 Br2 Mn N3 O5	P -1	8.794; 10.086; 12.604 76.44; 78.13; 79.99	1054.2	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546145	CIF	C20 H22 Mn N3 O5	P 1 21/c 1	8.7051; 15.844; 14.3082 90; 111.219; 90	1839.6	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546146	CIF	C21 H20 Cl2 Mn N3 O2 S	P 1 21/n 1	7.8995; 19.6273; 14.075 90; 103.223; 90	2124.4	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546147	CIF	C22 H28 Cl Mn N2 O9	P 1 21/n 1	7.3227; 16.417; 20.421 90; 107.009; 90	2347.6	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546148	CIF	C22 H26 Mn N2 O6 Re	P b c a	14.2637; 17.4799; 17.7014 90; 90; 90	4413.5	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546149	CIF	C21 H20 Br2 Mn N3 O2 S	P 1 21/n 1	8.428; 14.1; 19.038 90; 97.917; 90	2241	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546150	CIF	C22 H28 F6 Mn N2 O5 P	P 1 21/c 1	7.3187; 20.537; 16.1889 90; 95.132; 90	2423.5	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546151	CIF	C20 H20 Br2 Mn N5 O2	P -1	8.1; 11.44; 12.45 71.154; 73.375; 86.565	1045.5	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546152	CIF	C22 H26 Mn N3 O7	P 1 21/c 1	9.223; 13.875; 16.951 90; 101.021; 90	2129.2	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546153	CIF	C22 H28 Cl Mn N2 O7	P 1 21/c 1	7.3962; 15.437; 19.592 90; 90; 90	2236.9	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546154	CIF	C23 H26 Mn N3 O2 S	P b c a	15.9799; 15.253; 17.7327 90; 90; 90	4322.2	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546155	CIF	C20 H20 Cl2 Mn N5 O2	P -1	8.08; 11.412; 12.082 71.822; 73.52; 86.773	1014.4	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546156	CIF	C23 H28 F3 Mn N2 O8 S	P 1 21/c 1	7.416; 17.927; 18.623 90; 93.457; 90	2471	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546157	CIF	C22 H26 Mn N2 O8 Re	P b c a	14.7377; 16.7073; 18.4223 90; 90; 90	4536.1	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546158	CIF	C23 H26 Mn N3 O4 S	P 1 21/n 1	8.7807; 14.932; 17.271 90; 102.122; 90	2214	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546159	CIF	C20 H22 Cl3 Mn N2 O7	P 1 21/c 1	7.324; 15.433; 19.273 90; 90.0406; 90	2178.5	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546160	CIF	C20 H20 Cl2 Mn N2 O6 Re	P 1 21/c 1	8.741; 18.116; 13.841 90; 100.912; 90	2152	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546161	CIF	C44 H52 Mn2 N10 O8	P 1 21/n 1	16.719; 14.5578; 17.9507 90; 104.338; 90	4233	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546162	CIF	C22 H26 Mn N3 O5	P -1	8.813; 14.3852; 16.9362 81.336; 75.607; 84.498	2052.16	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546163	CIF	C20 H20 Br2 Mn N2 O6 Re	P 1 21/a 1	13.849; 18.445; 8.901 90; 100.56; 90	2235.2	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017
1546164	CIF	C17 H24 O3	P 1 21 1	10.927; 5.4369; 13.378 90; 100.686; 90	781	Liu, Yun-Ting; Chen, Ji-Qiang; Li, Lin-Ping; Shao, Xin-Yang; Xie, Jian-Hua; Zhou, Qi-Lin Asymmetric Hydrogenation of Tetrasubstituted Cyclic Enones to Chiral Cycloalkanols with Three Contiguous Stereocenters. Organic letters, 2017, 19, 3231-3234
1546165	CIF	C16 H24 O7	P -1	10.8731; 11.2643; 14.1668 92.003; 93.9208; 101.502	1694.2	Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S. Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls. Organic letters, 2017, 19, 3107-3110
1546166	CIF	C15 H22 O6	P 1 21/c 1	8.999; 9.833; 17.8989 90; 101.692; 90	1550.96	Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S. Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls. Organic letters, 2017, 19, 3107-3110
1546167	CIF	C19 H28 O7	P -1	9.945; 10.1542; 10.9266 73.626; 65.348; 74.857	949.02	Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S. Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls. Organic letters, 2017, 19, 3107-3110
1546168	CIF	C26 H30 F2 N2 O2	P -1	8.4306; 11.7839; 12.6627 96.816; 105.872; 103.544	1153.69	Maity, Soham; Dolui, Pravas; Kancherla, Rajesh; Maiti, Debabrata Introducing unactivated acyclic internal aliphatic olefins into a cobalt catalyzed allylic selective dehydrogenative Heck reaction Chem. Sci., 2017
1546169	CIF	C20 H40 Al Si3 Ti	P 1 21/c 1	18.6834; 9.2143; 15.3519 90; 108.428; 90	2507.4	Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017
1546170	CIF	C30 H47 Al F4 Si3 Ti2	P -1	12.149; 16.6519; 18.1791 105.807; 102.06; 91.054	3449.4	Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017
1546171	CIF	C21.5 H41.5 Al Si3 Ti	P 1 21/c 1	13.804; 20.5426; 18.7994 90; 105.291; 90	5142.2	Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017
1546172	CIF	C18 H46 Al K O2 Si3	P -1	13.5985; 13.6009; 16.6858 106.549; 107.02; 98.4556	2737.85	Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017
1546173	CIF	C30 H58 Al Si3 Ti	P 1 21/c 1	17.5367; 11.3812; 18.6758 90; 115.366; 90	3368.11	Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017
1546174	CIF	C30 H47 Al Si3 Ti2	P 1 21/c 1	13.9593; 26.812; 9.5669 90; 90.391; 90	3580.6	Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017
1546175	CIF	C30 H51 Al Si3 Ti2	P -1	11.8167; 16.7464; 18.0477 105.953; 103.15; 90.965	3331.8	Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017
1546176	CIF	C21 H39 Al F3 O3 S Si3 Ti	P 1 21/n 1	15.9334; 8.8807; 41.2358 90; 92.756; 90	5828.1	Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium–aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017
1546177	CIF	C30 H56 Al N2 O3 Si3 Ti	P n a 21	12.528; 18.992; 15.352 90; 90; 90	3653	Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017
1546178	CIF	C27 H54 Al N2 Si3 Ti	P 1 21/n 1	11.686; 15.497; 18.639 90; 107.884; 90	3212	Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017
1546179	CIF	C18 H17 F N2 O2	P -1	7.1689; 9.283; 11.8655 95.669; 91.769; 107.117	749.5	Robertson, Craig. C.; Wright, James S.; Carrington, Elliot J.; Perutz, Robin N.; Hunter, Christopher A.; Brammer, Lee Hydrogen bonding vs. halogen bonding: the solvent decides Chem. Sci., 2017
1546180	CIF	C18 H14 F4 N2 O2	P -1	6.1939; 7.4692; 9.0672 86.863; 75.722; 71.755	385.97	Robertson, Craig. C.; Wright, James S.; Carrington, Elliot J.; Perutz, Robin N.; Hunter, Christopher A.; Brammer, Lee Hydrogen bonding vs. halogen bonding: the solvent decides Chem. Sci., 2017
1546181	CIF	C65 H74 B N9 O4.28 S Zn	P 1 21/c 1	13.6329; 14.5215; 63.8849 90; 91.6616; 90	12642	Kirk, Martin L.; Shultz, David A.; Zhang, Jinyuan; Dangi, Ranjana; Ingersol, Laura; Yang, Jing; Finney, Nathaniel S.; Sommer, Roger D.; Wojtas, Lukasz Heterospin biradicals provide insight into molecular conductance and rectification Chem. Sci., 2017
1546182	CIF	C65 H74 B N9 O4 S Zn	P 1 21/c 1	22.0024; 16.5492; 21.1852 90; 112.792; 90	7111.7	Kirk, Martin L.; Shultz, David A.; Zhang, Jinyuan; Dangi, Ranjana; Ingersol, Laura; Yang, Jing; Finney, Nathaniel S.; Sommer, Roger D.; Wojtas, Lukasz Heterospin biradicals provide insight into molecular conductance and rectification Chem. Sci., 2017
1546183	CIF	C13 H15 Cl O5 S	P 21 21 21	6.853; 9.6726; 21.2802 90; 90; 90	1410.59	Espina, Marta; Corte-Rodríguez, Mario; Aguado, Leticia; Montes-Bayón, María; Sierra, Marta I.; Martínez-Camblor, Pablo; Blanco-González, Elisa; Sierra, L María Cisplatin resistance in cell models: evaluation of metallomic and biological predictive biomarkers to address early therapy failure. Metallomics : integrated biometal science, 2017, 9, 564-574
1546184	CIF	C14 H16 O4 S	P 1 21/c 1	21.102; 10.963; 5.929 90; 92.57; 90	1370.2	Espina, Marta; Corte-Rodríguez, Mario; Aguado, Leticia; Montes-Bayón, María; Sierra, Marta I.; Martínez-Camblor, Pablo; Blanco-González, Elisa; Sierra, L María Cisplatin resistance in cell models: evaluation of metallomic and biological predictive biomarkers to address early therapy failure. Metallomics : integrated biometal science, 2017, 9, 564-574
1546185	CIF	Ag Cl6 Cs2 Sb	F m -3 m	10.664; 10.664; 10.664 90; 90; 90	1213	Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M. Designing Indirect-Direct Bandgap Transitions in Double Perovskites Mater. Horiz., 2017
1546186	CIF	Ag Cl6 Cs2 In	F m -3 m	10.469; 10.469; 10.469 90; 90; 90	1147	Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M. Designing Indirect-Direct Bandgap Transitions in Double Perovskites Mater. Horiz., 2017
1546187	CIF	C20 H26 F16 I2 N2 O4	I 1 2/a 1	31.169; 5.462; 19.627 90; 102.81; 90	3258.2	Zavala, Jose; Greenan, Rebecca; Krantz, Q. Todd; DeMarini, David M.; Higuchi, Mark; Gilmour, M. Ian; White, Paul A. Regulating temperature and relative humidity in air‒liquid interface in vitro systems eliminates cytotoxicity resulting from control air exposures Toxicol. Res., 2017
1546188	CIF	C25 H19 N O	P 1 21/c 1	10.4008; 19.8632; 8.9591 90; 91.71; 90	1850.1	Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones. Organic letters, 2017, 19, 3135-3138
1546189	CIF	C21 H19 N O	P 1 21/c 1	9.4297; 9.7758; 18.503 90; 103.717; 90	1657	Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones. Organic letters, 2017, 19, 3135-3138
1546190	CIF	C17 H13 N O2	P 1 21/c 1	8.098; 14.164; 11.844 90; 98.751; 90	1342.7	Samineni, Ramesh; Madapa, Jaipal; Srihari, Pabbaraja; Mehta, Goverdhan Spiroannulation of Oxindoles via Aryne and Alkyne Incorporation: Substituent-Diverted, Transition-Metal-Free, One-Pot Access to Spirooxindoles. Organic letters, 2017, 19, 3119-3122
1546191	CIF	C26 H19 N O3	P 1 21/n 1	9.593; 16.282; 12.782 90; 100.516; 90	1963	Samineni, Ramesh; Madapa, Jaipal; Srihari, Pabbaraja; Mehta, Goverdhan Spiroannulation of Oxindoles via Aryne and Alkyne Incorporation: Substituent-Diverted, Transition-Metal-Free, One-Pot Access to Spirooxindoles. Organic letters, 2017, 19, 3119-3122
1546192	CIF	C19 H26 N2	P 21 21 21	11.1357; 12.5468; 22.93 90; 90; 90	3203.7	Wang, Nengzhong; Du, Shuo; Li, Dong; Jiang, Xuefeng Divergent Asymmetric Total Synthesis of (+)-Vincadifformine, (-)-Quebrachamine, (+)-Aspidospermidine, (-)-Aspidospermine, (-)-Pyrifolidine, and Related Natural Products. Organic letters, 2017, 19, 3167-3170
1546193	CIF	C13 H12 F3 N O6 Ru	P -1	8.558; 9.278; 11.548 89.047; 68.729; 70.014	796.9	Fan, Zhoulong; Li, Jie; Lu, Heng; Wang, Dong-Yu; Wang, Chao; Uchiyama, Masanobu; Zhang, Ao Monomeric Octahedral Ruthenium(II) Complex Enabled meta-C‒H Nitration of Arenes with Removable Auxiliaries Organic Letters, 2017
1546194	CIF	C18 H33 N O3	P 1 21 1	10.7535; 6.972; 12.657 90; 110.71; 90	887.62	Novaes, Luiz F. T.; Pastre, Julio C. Formal Total Synthesis of Actinoranone and Asymmetric Synthesis of Labda-7,13-(E)-dien-15-ol. Organic letters, 2017
1546195	CIF	C28 H23 Br2 N5 O4	P -1	8.5342; 8.687; 18.025 88.68; 84.146; 78.769	1303.9	Wang, Xiao; Wu, Lin; Yang, Peng; Song, Xiang-Jia; Ren, Hong-Xia; Peng, Lin; Wang, Li-Xin Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Base Catalyzed Michael Addition with β-Nitrostyrene via C3 Umpolung of Oxindole. Organic letters, 2017, 19, 3051-3054
1546196	CIF	C16 H34 F N O4 S Si	P -1	14.494; 15.866; 18.793 96.478; 90.043; 90.052	4294	Liu, Lu; Gerstner, Nels C.; Oxtoby, Lucas J.; Guzei, Ilia A.; Schomaker, Jennifer M. Fluorinated Amine Stereotriads via Allene Amination Organic Letters, 2017
1546197	CIF	C81.02 H72.05 Cl4.05 F12 N4 O8 Sb2	P 1 21/c 1	13.5017; 18.3754; 16.0677 90; 104.555; 90	3858.45	Kurata, Ryohei; Sakamaki, Daisuke; Ito, Akihiro Tetraaza[1.1.1.1]m,p,m,p-cyclophane Diradical Dications Revisited: Tuning Spin States by Confronted Arenes. Organic letters, 2017, 19, 3115-3118
1546198	CIF	C67 H38 B F20 N2 O4	P 1 21/c 1	12.556; 18.88; 24.126 90; 91.189; 90	5718	Kurata, Ryohei; Sakamaki, Daisuke; Ito, Akihiro Tetraaza[1.1.1.1]m,p,m,p-cyclophane Diradical Dications Revisited: Tuning Spin States by Confronted Arenes. Organic letters, 2017, 19, 3115-3118
1546199	CIF	C25 H24 N2 O3	P 21 21 21	12.237; 12.4525; 13.7714 90; 90; 90	2098.5	Tabata, Hidetsugu; Yoneda, Tetsuya; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki Tolvaptan-Type Vasopressin Receptor Ligands: Important Role of Axial Chirality in the Active Form. Journal of medicinal chemistry, 2017, 60, 4503-4509
1546200	CIF	C30.5 H60.33333 O5.83333	P 1	14.9136; 14.9888; 22.7918 97.926; 93.125; 114.454	4558.1	Niu, Biao; Ke, Chang-Qiang; Li, Bo-Han; Li, Yuanyuan; Yi, Yongji; Luo, Yongwei; Shuai, Lin; Yao, Sheng; Lin, Li-Gen; Li, Jia; Ye, Yang Cucurbitane Glucosides from the Crude Extract of Siraitia grosvenorii with Moderate Effects on PGC-1α Promoter Activity. Journal of natural products, 2017, 80, 1428-1435
1546201	CIF	C21 H32 N2 O	P 21 21 21	7.45094; 9.21543; 26.7264 90; 90; 90	1835.13	Luo, Pan; Xia, Wenjuan; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Zhao, Yu; Gu, Qiong; Xu, Jun Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia. Journal of natural products, 2017, 80, 1679-1683
1546202	CIF	C14 H26 O5 Si	P 1 21 1	6.209; 7.0974; 19.3995 90; 90.588; 90	854.85	Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A. Journal of natural products, 2017, 80, 1631-1638
1546203	CIF	C14 H26 O5 Si	P 1 21 1	5.9878; 7.3276; 18.7222 90; 97.466; 90	814.49	Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A. Journal of natural products, 2017, 80, 1631-1638
1546204	CIF	C14 H26 O5 Si	P 1 21 1	6.2011; 7.0991; 19.423 90; 90.899; 90	854.94	Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A. Journal of natural products, 2017, 80, 1631-1638
1546205	CIF	C14 H26 O5 Si	P 1 21 1	5.9893; 7.3207; 18.7356 90; 97.532; 90	814.39	Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A. Journal of natural products, 2017, 80, 1631-1638
1546206	CIF	C23 H28 O7	P 1 21 1	24.3633; 9.12727; 31.0898 90; 109.128; 90	6531.8	Hong, Min Jee; Kim, Jinwoong Determination of the Absolute Configuration of Khellactone Esters from Peucedanum japonicum Roots. Journal of natural products, 2017, 80, 1354-1360
1546207	CIF	C30 H33 Cl3 N2 O2 Si	P 1 21/c 1	11.2706; 28.0835; 10.5737 90; 116.053; 90	3006.69	Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L. Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes. Organic letters, 2017, 19, 2482-2485
1546208	CIF	C66 H70 I2 N36 O16	R -3 :H	28.8798; 28.8798; 25.2097 90; 90; 120	18209	Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert Cubane Arrives on the Cucurbituril Scene. Organic letters, 2017, 19, 2698-2701
1546209	CIF	C16 H20 N4 O2	P 1 21/c 1	5.4544; 18.7828; 14.6592 90; 92.914; 90	1499.88	Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert Cubane Arrives on the Cucurbituril Scene. Organic letters, 2017, 19, 2698-2701
1546210	CIF	C15 H20 O3	P 1 c 1	9.198; 9.442; 15.292 90; 104.995; 90	1282.8	Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang Toward the Total Synthesis of Eurifoloid A. Organic letters, 2017, 19, 2742-2745
1546211	CIF	C16 H12 Br N	P -1	4.4612; 11.7056; 13.0331 67.332; 89.169; 81.812	621.02	Kumar, Gangam Srikanth; Kumar, Pravin; Kapur, Manmohan Traceless Directing-Group Strategy in the Ru-Catalyzed, Formal [3 + 3] Annulation of Anilines with Allyl Alcohols: A One-Pot, Domino Approach for the Synthesis of Quinolines. Organic letters, 2017, 19, 2494-2497
1546212	CIF	C21 H23 N3 O3	P 1 21 1	8.0393; 8.6325; 13.2604 90; 90.9524; 90	920.13	Tooriyama, Shino; Mimori, Yuji; Wu, Yuqiu; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu Asymmetric Total Synthesis of Pentacyclic Indole Alkaloid Andranginine and Absolute Configuration of Natural Product Isolated from Kopsia arborea. Organic letters, 2017, 19, 2722-2725
1546213	CIF	C25 H29 Br N2 O6	P 21 21 21	10.0435; 10.7709; 24.399 90; 90; 90	2639.4	Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M. Oxetanyl Amino Acids for Peptidomimetics. Organic letters, 2017, 19, 2510-2513
1546214	CIF	C24 H30 Br N3 O5	P 21 21 21	9.6689; 13.7338; 17.9303 90; 90; 90	2381	Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M. Oxetanyl Amino Acids for Peptidomimetics. Organic letters, 2017, 19, 2510-2513
1546215	CIF	C14 H15 N O3	P n m a	25.771; 6.8258; 7.1894 90; 90; 90	1264.7	Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction. Organic letters, 2017, 19, 2588-2591
1546216	CIF	C12 H8 F3 N O3	P n a 21	18.3137; 12.486; 4.8092 90; 90; 90	1099.7	Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction. Organic letters, 2017, 19, 2588-2591
1546217	CIF	C21 H15 F O2	P 1 21 1	6.2656; 15.4462; 8.1799 90; 94.209; 90	789.51	Zhang, Zong-Feng; Zhu, Dong-Xing; Chen, Wen-Wen; Xu, Bin; Xu, Ming-Hua Enantioselective Synthesis of gem-Diaryl Benzofuran-3(2H)-ones via One-Pot Asymmetric Rhodium/Palladium Relay Catalysis. Organic letters, 2017, 19, 2726-2729
1546218	CIF	C23 H15 N3 O2	P -4 21 c	21.6276; 21.6276; 8.1936 90; 90; 90	3832.6	Barve, Indrajeet J.; Thikekar, Tushar Ulhas; Sun, Chung-Ming Silver(I)-Catalyzed Regioselective Synthesis of Triazole Fused-1,5-Benzoxazocinones. Organic letters, 2017, 19, 2370-2373
1546219	CIF	C28 H41 N O11	P 21 21 21	10.77; 15.109; 17.72 90; 90; 90	2883	Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction. Organic letters, 2017, 19, 2250-2253
1546220	CIF	C11 H19 N O3	P 21 21 21	7.784; 9.7886; 14.7958 90; 90; 90	1127.36	Sekita, Hiroko; Adachi, Kyohei; Kobayashi, Ippei; Sato, Yusuke; Nakada, Masahisa Enantio- and Stereoselective Construction of Atisane Scaffold via Organocatalytic Intramolecular Michael Reaction and Diels-Alder Reaction. Organic letters, 2017, 19, 2390-2393
1546221	CIF	C27 H36 Br N O2	P 21 21 21	10.5792; 12.2534; 20.4903 90; 90; 90	2656.2	Roiser, Lukas; Waser, Mario Enantioselective Spirocyclopropanation of para-Quinone Methides Using Ammonium Ylides. Organic letters, 2017, 19, 2338-2341
1546222	CIF	C20 H17 Br O	P 1 21 1	9.4386; 11.6291; 14.6798 90; 93.296; 90	1608.6	Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters. Organic letters, 2017, 19, 2322-2325
1546223	CIF	C26 H20 Cl2 O	P 21 21 21	10.6637; 10.7733; 18.111 90; 90; 90	2080.7	Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters. Organic letters, 2017, 19, 2322-2325
1546224	CIF	C25 H23 N O2 S	P 1 21 1	9.717; 11.448; 10.196 90; 112.48; 90	1048	Najib, Atifah; Hirano, Koji; Miura, Masahiro Palladium-Catalyzed Asymmetric Benzylic Substitution of Secondary Benzyl Carbonates with Nitrogen and Oxygen Nucleophiles. Organic letters, 2017, 19, 2438-2441
1546225	CIF	C29 H38 N2 O2 S	P 1 21/c 1	19.884; 8.5199; 15.7656 90; 99.117; 90	2637.1	Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417
1546226	CIF	C27 H26 N2 O2 S	P 1 21/c 1	13.1459; 11.374; 15.2985 90; 92.322; 90	2285.58	Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417
1546227	CIF	C25 H31 N O3 S	P -1	9.2471; 10.0565; 12.1074 83.941; 76.636; 83.733	1085.11	Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417
1546228	CIF	C29 H30 Cl2 N2 O3 S	P n a 21	20.5163; 16.682; 7.9278 90; 90; 90	2713.3	Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417
1546229	CIF	C27 H27 N O3 S	P 1 21/c 1	12.3798; 23.4215; 8.3687 90; 109.349; 90	2289.5	Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417
1546230	CIF	C25 H27 N O2 S	P -1	5.9068; 13.7441; 14.5687 109.313; 100.073; 97.026	1078.12	Maiti, Saikat; Mal, Prasenjit Dehydrogenative Aromatic Ring Fusion for Carbazole Synthesis via C-C/C-N Bond Formation and Alkyl Migration. Organic letters, 2017, 19, 2454-2457
1546231	CIF	C34 H28 N2 O2	P -1	9.9922; 19.11; 21.951 89.352; 86.158; 85.402	4168.6	Zheng, Jiuan; Li, Panpan; Gu, Meng; Lin, Aijun; Yao, Hequan Synthesis of Spiropentadiene Pyrazolones by Rh(III)-Catalyzed Formal sp(3) C-H Activation/Annulation. Organic letters, 2017, 19, 2829-2832
1546232	CIF	C24 H14 F3 N O	P 1 21/c 1	10.4652; 10.8048; 17.209 90; 105.635; 90	1873.9	Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines. Organic letters, 2017, 19, 2997-3000
1546233	CIF	C20 H20 F3 N O4	P 1 21/n 1	10.6016; 6.4032; 27.3243 90; 91.4282; 90	1854.31	Gietter-Burch, Amber A S; Devannah, Vijayarajan; Watson, Donald A. Trifluoromethylation of Secondary Nitroalkanes. Organic letters, 2017, 19, 2957-2960
1546234	CIF	C22 H20 N4 O5	P -1	7.3583; 8.6653; 15.7812 94.049; 95.948; 105.631	958.7	Xie, Jiaxin; Wang, Jianchun; Dong, Guangbin Synthetic Study of Phainanoids. Highly Diastereoselective Construction of the 4,5-Spirocycle via Palladium-Catalyzed Intramolecular Alkenylation. Organic letters, 2017, 19, 3017-3020
1546235	CIF	C26 H25 N3 O6 S2	P 1 21/n 1	11.9761; 12.0471; 17.418 90; 98.702; 90	2484.1	Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines. Organic letters, 2017, 19, 2813-2816
1546236	CIF	C22 H24 Cl N2 O Rh	P 1 21/n 1	7.58618; 16.9757; 15.6843 90; 93.0656; 90	2016.94	Long, Zhen; Wang, Zhigang; Zhou, Danni; Wan, Danyang; You, Jingsong Rh(III)-Catalyzed Regio- and Chemoselective [4 + 1]-Annulation of Azoxy Compounds with Diazoesters for the Synthesis of 2H-Indazoles: Roles of the Azoxy Oxygen Atom. Organic letters, 2017, 19, 2777-2780
1546237	CIF	C28 H25 N O4	P c a 21	14.8441; 10.42006; 14.7439 90; 90; 90	2280.53	Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H. Organic letters, 2017, 19, 2965-2968
1546238	CIF	C17 H19 N O5	P -1	8.1791; 8.4632; 11.3125 70.672; 84.194; 80.842	728.52	Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H. Organic letters, 2017, 19, 2965-2968
1546239	CIF	C21 H20 N2	P 3 1 c	18.6655; 18.6655; 8.1126 90; 90; 120	2447.8	Zhu, Zhengbo; Seidel, Daniel Acetic Acid Promoted Redox Annulations with Dual C-H Functionalization. Organic letters, 2017, 19, 2841-2844
1546240	CIF	C19 H25 O8	P 21 21 21	6.4987; 6.9114; 41.4349 90; 90; 90	1861.05	Nur-E-Alam, Mohammad; Yousaf, Muhammad; Ahmed, Sarfaraz; Al-Sheddi, Ebtesam S; Parveen, Ifat; Fazakerley, David M.; Bari, Ahmed; Ghabbour, Hazem A.; Threadgill, Michael D.; Whatley, Kezia C. L.; Hoffmann, Karl F.; Al-Rehaily, Adnan J Neoclerodane Diterpenoids from Reehal Fatima, Teucrium yemense. Journal of natural products, 2017, 80, 1900-1908
1546241	CIF	C41 H34 F3 N3 O2	P -1	9.5081; 13.6271; 14.3689 105.485; 106.87; 99.403	1657.4	Ye, Tzuen-Yang; Selvaraju, Manikandan; Sun, Chung-Ming Cascade Synthesis of Benzimidazole-Linked Pyrroles via Copper Catalyzed Oxidative Cyclization and Ketonization. Organic letters, 2017, 19, 3103-3106
1546242	CIF	C33 H27 N3 O4 S	P -1	9.4864; 9.9158; 15.8741 82.816; 79.911; 71.445	1389.8	Ye, Tzuen-Yang; Selvaraju, Manikandan; Sun, Chung-Ming Cascade Synthesis of Benzimidazole-Linked Pyrroles via Copper Catalyzed Oxidative Cyclization and Ketonization. Organic letters, 2017, 19, 3103-3106
1546243	CIF	C61.5 H59 Al Cl8 N4 Ni	P 1 21 1	16.975; 15.547; 24.68 90; 101.91; 90	6373	Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation Catal. Sci. Technol., 2017
1546244	CIF	C90 H84 Al Cl9 N6 Ni3	P -1	14.507; 16.966; 19.647 112.115; 101.465; 100.432	4212.5	Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation Catal. Sci. Technol., 2017
1546245	CIF	C34.25 H41.5 Al Cl4.75 N2 Ni	P 1 21 1	12.652; 23.843; 12.739 90; 100.858; 90	3774.07	Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation Catal. Sci. Technol., 2017
1546246	CIF	C123 H254 K2 N2 O32 Si8 U2	F d d 2	92.6284; 24.32104; 13.71515 90; 90; 90	30897.8	Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella Metathesis of a UV imido complex: a route to a terminal UV sulfide Chem. Sci., 2017
1546247	CIF	C66 H144 K N2 O22 Si4 U	P 21 21 21	25.92909; 26.18261; 26.16679 90; 90; 90	17764.4	Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella Metathesis of a UV imido complex: a route to a terminal UV sulfide Chem. Sci., 2017
1546248	CIF	C73 H152 K N2 O22 S Si4 U	P -1	14.4445; 14.4565; 47.0418 82.352; 84.245; 78.583	9515.4	Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella Metathesis of a UV imido complex: a route to a terminal UV sulfide Chem. Sci., 2017
1546249	CIF	C26 H48 K2 O12 S6	P 1 21/c 1	19.133; 9.457; 22.775 90; 111.465; 90	3835.1	Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella Metathesis of a UV imido complex: a route to a terminal UV sulfide Chem. Sci., 2017
1546250	CIF	C74 H152 K N2 O22 S3 Si4 U	P 1 21 1	13.827; 24.6484; 14.3945 90; 99.042; 90	4844.9	Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella Metathesis of a UV imido complex: a route to a terminal UV sulfide Chem. Sci., 2017
1546251	CIF	C39 H30 Cl6 F2 N P Pt	P 1 21/n 1	11.49295; 22.2749; 14.299 90; 91.1028; 90	3659.93	Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P. Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre Chem. Sci., 2017
1546252	CIF	C38 H30 F2 N P Pt	P -1	12.1213; 12.1909; 12.2729 68.816; 69.917; 64.636	1489.24	Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P. Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre Chem. Sci., 2017
1546253	CIF	C38 H29 Cl F2 N P Pt	P -1	11.3911; 11.7933; 12.863 100.845; 97.595; 117.163	1462.19	Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P. Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre Chem. Sci., 2017
1546254	CIF	C42 H34 Cl10 F2 N O P Pt	I 1 2/a 1	23.6952; 14.2502; 27.6824 90; 103.199; 90	9100.3	Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P. Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre Chem. Sci., 2017