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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1546355	CIF	C47 H82 N8 O13	P 1 21 1	14.885; 20.472; 18.004 90; 91.102; 90	5485	Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N. Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides. Organic letters, 2017, 19, 3572-3575
1546356	CIF	C14 H26 N2 O6	P 1 21 1	9.289; 20.701; 10.602 90; 115.928; 90	1833.5	Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N. Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides. Organic letters, 2017, 19, 3572-3575
1546357	CIF	C66 H101 K N10 O12	C 1 2/c 1	37.565; 20.3058; 22.5109 90; 118.616; 90	15074	Zhang, Shiyu; Nava, Matthew Jordan; Chow, Gary; Lopez, Nazario; Wu, Gang; Britt, R. David; Nocera, Daniel G.; Cummins, Christopher On the incompatibility of lithium-O2 battery technology with CO2 Chem. Sci., 2017
1546358	CIF	C21 H33 Al2 N O	P 1 21/c 1	12.5747; 7.0541; 24.349 90; 90.098; 90	2159.8	Ferrier, Robert; Imbrogno, Jennifer; Rodriguez, Christina; Chwatko, Malgorzata; Meyer, Paul William; Lynd, Nathaniel A. Four-fold increase in epoxide polymerization rate with change of alkyl-substitution on mono-µ-oxo-dialuminum initiators Polym. Chem., 2017
1546359	CIF	C36 H63 Al2 N O	P 1 21/n 1	21.17; 13.038; 28.359 90; 110.776; 90	7319	Ferrier, Robert; Imbrogno, Jennifer; Rodriguez, Christina; Chwatko, Malgorzata; Meyer, Paul William; Lynd, Nathaniel A. Four-fold increase in epoxide polymerization rate with change of alkyl-substitution on mono-µ-oxo-dialuminum initiators Polym. Chem., 2017
1546360	CIF	Al0.005 B0.071 H0.033 Na0.043 O2 Si0.924	P 6/m m m	14.1145; 14.1145; 24.8822 90; 90; 120	4292.9	Leonowicz, Michael E.; Lawton, Jeffrey A.; Lawton, Stephen L.; Rubin, Mae K. MCM-22: a molecular sieve with two independent multidimensional channel systems Science, 1994, 264, 1910-1913
1546361	CIF	C168 H202 Ag24 P2 Pd S18	P -1	19.5843; 20.1047; 31.3508 84.483; 72.593; 63.99	10576.8	Liu, Xu; Yuan, Jinyun; Yao, Chuanhao; Chen, Jishi; Li, Lingling; Bao, Xiaoli; Yang, Jinlong; Wu, Zhikun Crystal and Solution Photoluminescence of MAg24(SR)18 (M = Ag/Pd/Pt/Au) Nanoclusters and Some Implications for the Photoluminescence Mechanisms The Journal of Physical Chemistry C, 2017, 121, 13848
1546362	CIF	C9 H12 O2	P n a 21	11.629; 12.235; 5.656 90; 90; 90	804.7	Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane. Organic letters, 2017, 19, 3592-3595
1546363	CIF	C19 H22 N2	P 1 21 1	6.823; 7.936; 14.34 90; 97.758; 90	769.4	Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane. Organic letters, 2017, 19, 3592-3595
1546364	CIF	C20 H26 N2	P 32	20.168; 20.168; 11.2557 90; 90; 120	3964.9	Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane. Organic letters, 2017, 19, 3592-3595
1546365	CIF	Ca0.8 Cu3 Fe4 O12 Sr0.2	I m -3	7.30355; 7.30355; 7.30355 90; 90; 90	389.585	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546366	CIF	Ca0.8 Cu3 Fe4 O12 Sr0.2	P n -3	7.2763; 7.2763; 7.2763 90; 90; 90	385.24	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546367	CIF	Ca0.6 Cu3 Fe4 O12 Sr0.4	I m -3	7.31708; 7.31708; 7.31708 90; 90; 90	391.754	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546368	CIF	Ca0.6 Cu3 Fe4 O12 Sr0.4	I m -3	7.2942; 7.2942; 7.2942 90; 90; 90	388.09	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546369	CIF	Ca0.4 Cu3 Fe4 O12 Sr0.6	I m -3	7.33013; 7.33013; 7.33013 90; 90; 90	393.854	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546370	CIF	Ca0.4 Cu3 Fe4 O12 Sr0.6	I m -3	7.3364; 7.3364; 7.3364 90; 90; 90	394.865	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546371	CIF	Ca0.2 Cu3 Fe4 O12 Sr0.8	I m -3	7.34542; 7.34542; 7.34542 90; 90; 90	396.324	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546372	CIF	Ca0.2 Cu3 Fe4 O12 Sr0.8	I m -3	7.35387; 7.35387; 7.35387 90; 90; 90	397.693	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546373	CIF	C34 H31 N4 O3	P -1	7.99; 12.475; 14.539 94.821; 94.404; 108.372	1362.3	Coman, Anca G.; Paraschivescu, Codruta C.; Paun, Anca; Diac, Andreea; Hădade, Niculina D.; Jouffret, Laurent; Gautier, Arnaud; Matache, Mihaela; Ionita, Petre Synthesis of novel profluorescent nitroxides as dual luminescent-paramagnetic active probes New Journal of Chemistry, 2017, 41, 7472-7480
1546374	CIF	C31 H28 Br2 O3	P 1 21 1	10.1299; 8.6369; 15.8434 90; 93.226; 90	1384	Kotani, Shunsuke; Kai, Kosuke; Sugiura, Masaharu; Nakajima, Makoto Sequential Catalysis of Phosphine Oxide for Stereoselective Synthesis of Stereopentads. Organic letters, 2017, 19, 3672-3675
1546375	CIF	F3 Sn	F m -3 m	8.321; 8.321; 8.321 90; 90; 90	576.1	Ruchaud, N; Mirambet, C.; Fournes, L.; Grannec, J.; Soubeyroux, J. L. Determination of the cationic arrangement in Sn2F6 from neutron powder diffraction Zeitschrift fur anorganische und allgemeine Chemie, 1990, 590, 173-180
1546376	CIF	F3 Mg Na	P b n m	5.325; 5.484; 7.654 90; 90; 90	223.5	Lutgert, B.; Babel, D. Crystal structure refinements of sodium trifluorometallates NaMF3 (M = Mg, Co, Ni, Zn) : tilting of octahedra and tolerance factor of orthorhombic fluoroperovskites Zeitschrift fur anorganische und allgemeine Chemie, 1992, 616, 133-140
1546377	CIF	F3 Na Ni	P b n m	5.366; 5.53; 7.695 90; 90; 90	228.34	Lutgert, B.; Babel, D. Crystal structure refinements of sodium trifluorometallates NaMF3 (M = Mg, Co, Ni, Zn) : tilting of octahedra and tolerance factor of orthorhombic fluoroperovskites Zeitschrift fur anorganische und allgemeine Chemie, 1992, 616, 133-140
1546378	CIF	F3 Na Zn	P b n m	5.409; 5.579; 7.765 90; 90; 90	234.32	Lutgert, B.; Babel, D. Crystal structure refinements of sodium trifluorometallates NaMF3 (M = Mg, Co, Ni, Zn) : tilting of octahedra and tolerance factor of orthorhombic fluoroperovskites Zeitschrift fur anorganische und allgemeine Chemie, 1992, 616, 133-140
1546379	CIF	Co F3 Na	P b n m	5.422; 5.606; 7.786 90; 90; 90	236.66	Lutgert, B.; Babel, D. Crystal structure refinements of sodium trifluorometallates NaMF3 (M = Mg, Co, Ni, Zn) : tilting of octahedra and tolerance factor of orthorhombic fluoroperovskites Zeitschrift fur anorganische und allgemeine Chemie, 1992, 616, 133-140
1546380	CIF	C21 H15 Br N2	P 1 21/c 1	19.0662; 5.923; 15.8955 90; 110.623; 90	1680.03	Tu, Yongliang; Zhang, Zhenming; Wang, Tao; Ke, Jiamei; Zhao, Junfeng A Regioselective Approach to Trisubstituted Pyrazoles via Palladium-Catalyzed Oxidative Sonogashira-Carbonylation of Arylhydrazines Organic Letters, 2017
1546381	CIF	C24 H28 N2 O4 S	P -1	10.4274; 11.0126; 11.684 93.516; 114.832; 111.078	1099.88	Zhao, Quan-Qing; Chen, Jun; Yan, Dong-Mei; Chen, Jia-Rong; Xiao, Wen-Jing Photocatalytic Hydrazonyl Radical-Mediated Radical Cyclization/Allylation Cascade: Synthesis of Dihydropyrazoles and Tetrahydropyridazines. Organic letters, 2017, 19, 3620-3623
1546382	CIF	C12 H15 N6 O9 S3 Sm	P 1 2/n 1	14.0717; 10.0842; 15.323 90; 110.408; 90	2037.9	N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; S.N. Vereshchagin; I.I. Golovneva Crystal structure and properties of polymeric hexaaqua-hexakis- (2-thiobarbiturato)-disamarium(III) Journal of Structural Chemistry, 2017, 58, 539-543
1546383	CIF	Fe2 O3	R -3 c :H	5.03; 5.03; 13.75 90; 90; 120	301.279	El Mendili, Yassine; Bardeau, Jean-François; Randrianantoandro, Nirina; Grasset, Fabien; Greneche, Jean-Marc Insights into the Mechanism Related to the Phase Transition from α-Fe2O3 to γ-Fe2O3 Nanoparticles Induced by Thermal Treatment and Laser Irradiation The Journal of Physical Chemistry C, 2012, 116, 23785-23792
1546384	CIF	C12 H8 B F3 K N3 O2	P 1 21/c 1	12.9371; 7.5514; 14.3323 90; 93.205; 90	1397.98	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− – a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546385	CIF	C26 H16 B2 F8 K2 N6 O2	C 1 2 1	28.487; 12.3676; 8.8225 90; 94.05; 90	3100.5	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− – a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546386	CIF	C24 H34 B2 F2 N8	P -1	7.231; 10.113; 10.502 98.148; 105.678; 106.755	687.6	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− – a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546387	CIF	C52 H52.17 B6 F4 K6 N20 O8.01	C 1 2/c 1	41.3012; 8.4531; 46.0735 90; 113.787; 90	14718.9	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546388	CIF	C14 H6 B2 F3 K2 N7 O	I 41/a	25.5118; 25.5118; 12.1914 90; 90; 90	7934.8	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546389	CIF	C10 H3 B F4 K N3 O	P n m a	10.9629; 8.0873; 14.1771 90; 90; 90	1256.95	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546390	CIF	C16 B2 F8 K2 N8	P b c a	10.0487; 18.9832; 22.2949 90; 90; 90	4252.9	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− – a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546391	CIF	C18 H8 B2 F2 K2 N6	P -1	9.0844; 9.8593; 12.0751 91.429; 109.254; 90.945	1020.36	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546392	CIF	C9 H3 B F2 K N3	P 1 21/c 1	11.1415; 12.3048; 7.4382 90; 99.762; 90	1004.97	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546393	CIF	C20 B2 F8 K2 N8	P -1	9.8453; 10.0627; 13.4136 87.223; 87.467; 66.895	1220.4	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− – a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546394	CIF	C12 H13 B F3 N4	I m a 2	7.7462; 16.7938; 10.8073 90; 90; 90	1405.9	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546395	CIF	C9 H2 B F3 K N3	P 1 21/n 1	7.4212; 21.5366; 7.4276 90; 118.496; 90	1043.31	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− – a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546396	CIF	C9 H4 B F K N3	P 1 21/c 1	11.3175; 12.5441; 7.3312 90; 100.954; 90	1021.83	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546397	CIF	C28 H40 B2 F4 N8	P -1	9.2925; 13.987; 19.7322 103.804; 92.966; 107.242	2357.9	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− – a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546398	CIF	C9 H3 B F2 K N3	P -1	7.2218; 7.3375; 11.5902 100.165; 95.64; 116.645	529.22	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− – a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546399	CIF	C9 H3 B F2 K N3	P 1 21/n 1	7.3664; 21.174; 7.39 90; 117.188; 90	1025.3	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− – a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546400	CIF	C9 H2 B F3 K N3	P 1 21/c 1	7.1368; 21.0081; 6.8083 90; 90.83; 90	1020.67	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− – a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546401	CIF	C56 H32 B4 F28 K4 N12 O4	P 1 21/c 1	12.5972; 32.4417; 16.9137 90; 92.82; 90	6903.8	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
1546402	CIF	F3 H6 Mn O3	P 1 21/c 1	8.413; 9.618; 6.37 90; 97.71; 90	510.78	Molinier, Michel; Massa, Werner Structures of two polymorphs of MnF3.3H2O Journal of Fluorine Chemistry, 1992, 57, 139-146
1546403	CIF	F3 H6 Mn O3	P 1 21/a 1	8.481; 9.473; 6.473 90; 100.51; 90	511.3	Molinier, Michel; Massa, Werner Structures of two polymorphs of MnF3.3H2O Journal of Fluorine Chemistry, 1992, 57, 139-146
1546404	CIF	C45.5 H38.5 Cl1.5	P 1 21/c 1	19.532; 22.819; 16.8357 90; 113.707; 90	6870.5	Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors The Journal of Physical Chemistry C, 2017, 121, 14803
1546405	CIF	C45 H38	P 1 21/n 1	8.4658; 16.207; 23.382 90; 93.382; 90	3202.5	Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors The Journal of Physical Chemistry C, 2017, 121, 14803
1546406	CIF	C45 H38	P b c n	8.6787; 23.1736; 16.1895 90; 90; 90	3256	Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors The Journal of Physical Chemistry C, 2017, 121, 14803
1546407	CIF	C24 H12 Br4 N2	P b c a	10.5047; 14.9725; 27.75 90; 90; 90	4364.6	Yuan, Yuan; Huang, Hongliang; Chen, Long; Chen, Yulan N,N′-Bicarbazole: A Versatile Building Block toward the Construction of Conjugated Porous Polymers for CO2 Capture and Dyes Adsorption Macromolecules, 2017
1546408	CIF	C22 H27 N O Si	P 21 21 21	8.174; 13.0525; 19.466 90; 90; 90	2076.8	Xiong, Meijun; Xie, Xin; Liu, Yuanhong Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron. Organic letters, 2017, 19, 3398-3401
1546409	CIF	C32 H40 B N O3 Si	P 1 21/c 1	20.188; 10.6143; 13.479 90; 91.456; 90	2887.4	Xiong, Meijun; Xie, Xin; Liu, Yuanhong Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron. Organic letters, 2017, 19, 3398-3401
1546410	CIF	C6 H22 Ca O13 P2	P 1 21/n 1	7.1912; 28.323; 9.0175 90; 110.259; 90	1723	Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M. Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems Chemical Communications, 2017, 53, 8160-8163
1546411	CIF	C54.3 H66.67 N8 O2.03	P 1 21/c 1	17.8264; 15.4605; 19.2829 90; 113.954; 90	4856.7	Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M. Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems Chemical Communications, 2017, 53, 8160-8163
1546412	CIF	C38 H45 Eu N12 O9	P -1	10.6829; 11.9538; 17.4933 88.385; 77.936; 70.385	2055.67	Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M. Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems Chemical Communications, 2017, 53, 8160-8163
1546413	CIF	C37 H48 N8 O2	P 1 21/n 1	16.9253; 8.6647; 23.1992 90; 98.832; 90	3361.9	Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M. Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems Chemical Communications, 2017, 53, 8160-8163
1546414	CIF	C236 H503 Dy52 N53 Ni52 O407	P 1 21/n 1	28.62; 41.352; 29.564 90; 108.087; 90	33260	Lin, Qingfang; Li, Jing; Dong, Yayu; Zhou, Guangpeng; Song, You; Xu, Yan Lantern-shaped 3d–4f high-nuclearity clusters with magnetocaloric effect Dalton Transactions, 2017, 46, 9745-9749
1546415	CIF	C248 H493 Gd52 N54 Ni52 O401.5	P 1 21/n 1	28.737; 41.67; 29.877 90; 107.598; 90	34103	Lin, Qingfang; Li, Jing; Dong, Yayu; Zhou, Guangpeng; Song, You; Xu, Yan Lantern-shaped 3d–4f high-nuclearity clusters with magnetocaloric effect Dalton Transactions, 2017, 46, 9745-9749
1546416	CIF	C41 H43 Br N2 Ni O2	P 1 21/n 1	10.2766; 16.387; 21.498 90; 92.547; 90	3616.7	Pollit, Adam A.; Obhi, Nimrat K.; Lough, Alan J.; Seferos, Dwight S. Evaluation of an external initiating Ni(ii) diimine catalyst for electron-deficient π-conjugated polymers Polym. Chem., 2017
1546417	CIF	Cl3 La3 O6 W	P 63/m	9.4048; 9.4048; 5.4253 90; 90; 120	415.58	Brixner, L. H.; Chen, H. Y.; Foris, C. M. Structure and luminescence of some rare earth halotungstates of the type Ln3WO6Cl3 Journal of Solid State Chemistry, 1982, 44, 99-107
1546418	CIF	C19 H20 O8	P -1	10.1479; 10.1826; 10.2083 102.993; 96.964; 119.796	857.44	Li, Yan; Yue, Qun; Jayanetti, Dinith R.; Swenson, Dale C.; Bartholomeusz, Geoffrey A.; An, Zhiqiang; Gloer, James B.; Bills, Gerald F. Anti-Cryptococcus Phenalenones and Cyclic Tetrapeptides from Auxarthron pseudauxarthron Journal of Natural Products, 2017
1546419	CIF	C34 H34 Br N O5	P 1 21 1	12.428; 5.8759; 21.526 90; 99.276; 90	1551.4	Ni, Chunjie; Chen, Jiangfei; Zhang, Yuwen; Hou, Yading; Wang, Dong; Tong, Xiaofeng; Zhu, Shou-Fei; Zhou, Qi-Lin Phosphine-Catalyzed Asymmetric (3 + 2) Annulations of δ-Acetoxy Allenoates with β-Carbonyl Amides: Enantioselective Synthesis of Spirocyclic β-Keto γ-Lactams. Organic letters, 2017, 19, 3668-3671
1546420	CIF	C14 H10 I N	P 1 21/c 1	11.167; 8.117; 13.629 90; 105.213; 90	1192.1	Sakata, Naoki; Sasakura, Kohei; Matsushita, Gaku; Okamoto, Kazuhiro; Ohe, Kouichi Copper-Catalyzed Regio- and Stereoselective Iodocyanation and Dicyanation of Alkynes with Cyanogen Iodide. Organic letters, 2017, 19, 3422-3425
1546421	CIF	C23 H23 N5 O8 S	P c a 21	31.325; 4.708; 15.8478 90; 90; 90	2337.2	Quiñones, Ryan E; Glinkerman, Christopher M.; Zhu, Kaicheng; Boger, Dale L. Direct Synthesis of β-Aminoenals through Reaction of 1,2,3-Triazine with Secondary Amines. Organic letters, 2017, 19, 3568-3571
1546422	CIF	C12 H10 Br N O3 S	P -1	12.1801; 14.4847; 15.6426 89.1; 82.956; 66.053	2501.4	Pan, Dong; Wei, Yin; Shi, Min Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates. Organic letters, 2017, 19, 3584-3587
1546423	CIF	C13 H13 N O3 S	P 21 21 21	5.4587; 9.1326; 24.374 90; 90; 90	1215.1	Pan, Dong; Wei, Yin; Shi, Min Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates. Organic letters, 2017, 19, 3584-3587
1546424	CIF	C17 H21 N O	P -1	7.8871; 9.2527; 10.7496 70.765; 76.025; 77.074	709.81	Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J. Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides. Organic letters, 2017, 19, 3490-3493
1546425	CIF	C29 H25 N3 O	P -1	10.6907; 11.1788; 11.708 112.885; 105.439; 102.793	1156.4	Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J. Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides. Organic letters, 2017, 19, 3490-3493
1546426	CIF	C25 H21 N O3 S	P 21 21 21	9.3259; 19.0277; 23.1597 90; 90; 90	4109.7	Xu, Dengyu; Zhao, Yulong; Song, Dengpeng; Zhong, Zhuliang; Feng, Shangbiao; Xie, Xingang; Wang, Xiaolei; She, Xuegong (3 + 2)-Annulation of p-Quinamine and Aryne: A Strategy To Construct the Multisubstituted Hydrocarbazoles. Organic letters, 2017, 19, 3600-3603
1546427	CIF	C16 H26 Mn N4 O6 S2	P b c a	9.1341; 13.5068; 16.573 90; 90; 90	2044.7	Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability Polyhedron, 2017, 134, 120-125
1546428	CIF	C16 H32 Mn N4 O9 S2	P b c a	11.8868; 13.8324; 29.9847 90; 90; 90	4930.2	Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability Polyhedron, 2017, 134, 120-125
1546429	CIF	C48 H86 Mn3 N12 O22 S6	P -1	9.0094; 14.0378; 14.5823 109.494; 92.834; 106.941	1640.9	Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability Polyhedron, 2017, 134, 120-125
1546430	CIF	O7 Tl4 V2	P -3 m 1	5.9388; 5.9388; 7.7322 90; 90; 120	236.173	Jouanneaux, A.; Joubert, O.; Evain, M.; Ganne, M. Structure determination of Tl4V2O7 from powder diffraction data using an Inel X-ray PSD: stereochemical activity of thallium(I) lone pair Powder Diffraction, 1992, 7, 206-211
1546431	CIF	C40 H48 O16	C 1 2/c 1	20.1484; 23.5395; 16.3621 90; 113.8; 90	7100.3	Zafrani, Yossi; Cohen, Yoram Calix[4, 5]tetrolarenes: A New Family of Macrocycles. Organic letters, 2017, 19, 3719-3722
1546432	CIF	C19 H16 O4	P b c a	6.3646; 17.4661; 27.475 90; 90; 90	3054.3	Borisov, Denis D.; Novikov, Roman A.; Eltysheva, Anna S.; Tkachev, Yaroslav V.; Tomilov, Yury V. Styrylmalonates as an Alternative to Donor–Acceptor Cyclopropanes in the Reactions with Aldehydes: A Route to 5,6-Dihydropyran-2-ones Organic Letters, 2017
1546433	CIF	C17 H13 N O7	P 1 21/c 1	11.018; 8.6442; 16.608 90; 100.195; 90	1556.8	Borisov, Denis D.; Novikov, Roman A.; Eltysheva, Anna S.; Tkachev, Yaroslav V.; Tomilov, Yury V. Styrylmalonates as an Alternative to Donor–Acceptor Cyclopropanes in the Reactions with Aldehydes: A Route to 5,6-Dihydropyran-2-ones Organic Letters, 2017
1546434	CIF	C24 H16 Br2 O2	P 1 21/n 1	10.6364; 13.3605; 13.3662 90; 91.547; 90	1898.7	Ravat, Prince; Hinkelmann, Rahel; Steinebrunner, David; Prescimone, Alessandro; Bodoky, Ina; Juríček, Michal Configurational Stability of [5]Helicenes. Organic letters, 2017, 19, 3707-3710
1546435	CIF	C24 H21 N O3	P 1 21/c 1	17.0796; 13.6704; 18.9052 90; 116.272; 90	3958.1	Wu, Cheng-Juan; Cao, Wen-Xiao; Lei, Tao; Li, Zhi-Hua; Meng, Qing-Yuan; Yang, Xiu-Long; Chen, Bin; Ramamurthy, Vaidhyanathan; Tung, Chen-Ho; Wu, Li-Zhu A sustainable synthesis of 2-aryl-3-carboxylate indolines from N-aryl enamines under visible light irradiation Chemical Communications, 2017, 53, 8320-8323
1546436	CIF	C80 H112 Fe2 N4	P 1 21/c 1	15.3867; 20.3731; 22.3197 90; 90.744; 90	6996.1	Horitani, Masaki; Grubel, Katarzyna; McWilliams, Sean F.; Stubbert, Bryan D.; Mercado, Brandon Q.; Yu, Ying; Gurubasavaraj, Prabhuodeyara M.; Lees, Nicholas S.; Holland, Patrick L.; Hoffman, Brian M. ENDOR characterization of an iron–alkene complex provides insight into a corresponding organometallic intermediate of nitrogenase Chem. Sci., 2017
1546437	CIF	C132 H59 Dy2 N4 Ni S	C 1 2/m 1	25.34; 14.77; 20.55 90; 97.13; 90	7632	Chen, Chia-Hsiang; Krylov, Denis; Avdoshenko, Stanislav; Liu, Fupin; Spree, Lukas; Yadav, Ravi; Alvertis, Antonis; Hozoi, Liviu; Nenkov, Konstantin; Kostanyan, Aram; Greber, Thomas; Wolter, A.; Popov, Alexey A. Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism Chem. Sci., 2017
1546438	CIF	C132 H60 Dy2 N4 Ni S	C 1 2/m 1	25.25; 14.86; 20.46 90; 97.74; 90	7607	Chen, Chia-Hsiang; Krylov, Denis; Avdoshenko, Stanislav; Liu, Fupin; Spree, Lukas; Yadav, Ravi; Alvertis, Antonis; Hozoi, Liviu; Nenkov, Konstantin; Kostanyan, Aram; Greber, Thomas; Wolter, A.; Popov, Alexey A. Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism Chem. Sci., 2017
1546439	CIF	C20 H20 N2 O7	P 1 21 1	11.1034; 6.1744; 14.0512 90; 96.477; 90	957.16	Boissarie, Patrick; Bélanger, Guillaume Short Approach toward the Nonracemic A,B,E Tricyclic Core of Calyciphylline B-Type Alkaloids. Organic letters, 2017
1546440	CIF	C23.5 H22.5 Cu3 N4.5 O13	P 1 21/m 1	14.9611; 18.8833; 15.2457 90; 102.243; 90	4209.2	Truong, Thanh; Tran, Thuan V.; Le, Hanh T. N; Ha, Hiep Q.; Duong, Xuan N. T; Nguyen, Linh H. T; Doan, Tan L. H; Nguyen, Ha Lac Five coordination Cu(II) cluster-based MOF and its application in synthesis of pharmaceuticals via Sp3C-H/N-H oxidative couplings Catal. Sci. Technol., 2017
1546441	CIF	C20 H32 N3 O6 P	P 21 21 2	11.8092; 22.5105; 8.1573 90; 90; 90	2168.46	Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization Chem. Sci., 2017
1546442	CIF	C23 H35 N4 O4 P	P 1 21 1	11.632; 10.796; 20.144 90; 92.25; 90	2527.7	Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization Chem. Sci., 2017
1546443	CIF	C15 H25 B N2 S3	P -1	8.4435; 8.577; 12.2867 84.407; 89.589; 82.07	877.08	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546444	CIF	C26 H34 B N3 S2	P 1 21/c 1	8.20315; 16.7145; 37.3775 90; 95.505; 90	5101.25	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546445	CIF	C11 H10 B I N4	P n n m	8.8243; 10.9964; 12.7995 90; 90; 90	1242.01	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546446	CIF	C27 H39 B N2 S3	P 21 21 21	12.63216; 13.55052; 16.37821 90; 90; 90	2803.5	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546447	CIF	C14 H20 B N3 S2	P 1 21/n 1	10.4737; 12.0926; 13.1679 90; 104.764; 90	1612.71	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546448	CIF	C14 H19 B N4 Sn	P 1 21/c 1	11.0134; 21.1517; 13.8999 90; 90.555; 90	3237.86	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546449	CIF	C10 H14 B Cl2 I N4	C m c 21	10.8977; 12.4002; 11.6286 90; 90; 90	1571.42	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546450	CIF	C8 H14 B N3 S Si	P 1 21/c 1	9.5297; 8.5096; 16.0181 90; 94.741; 90	1294.53	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546451	CIF	C46 H68 B2 K2 N8 O12	P 1 21/c 1	9.0098; 22.6206; 13.0457 90; 100.351; 90	2615.54	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546452	CIF	C243 H296 B9 K9 N36 O4	P 1 21/c 1	33.0927; 30.3266; 25.1212 90; 106.881; 90	24125	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546453	CIF	C11 H17 B N4 S	P 21 21 21	8.5576; 9.7069; 16.4514 90; 90; 90	1366.58	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546454	CIF	C24 H27 B N4	P b c a	16.1393; 7.9763; 34.8942 90; 90; 90	4492	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546455	CIF	C20 H30 B Cl2 N4 P	P b c n	31.987; 8.6554; 16.7007 90; 90; 90	4623.8	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546456	CIF	C12.5 H14 B Cl N4	C m c 21	11.3418; 18.4372; 12.9532 90; 90; 90	2708.66	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546457	CIF	C23 H24 B I N4	P 1 21/n 1	16.575; 17.3066; 23.9859 90; 90.036; 90	6880.52	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
1546458	CIF	C8 H24 Cl6 N2 Pt	F m -3 m	12.72; 12.72; 12.72 90; 90; 90	2058.1	Berg, Rolf W.; Sotofte, Inger Crystal structure of tetramethylammonium hexachloroplatinate(IV) Acta Chemica Scandinavica A, 1978, 32, 241-244
1546459	CIF	C14 H15 N O7	P 1 21 1	6.21152; 5.70278; 19.944 90; 92.5859; 90	705.76	Varró, Gábor; Hegedűs, László; Simon, András; Balogh, Attila; Grün, Alajos; Leveles, Ibolya; Vértessy, Beáta G; Kádas, István The First Enantioselective Total Synthesis of (-)-trans-Dihydronarciclasine. Journal of natural products, 2017, 80, 1909-1917
1546460	CIF	C31 H46 O10	P 21 21 2	27.622; 19.968; 5.699 90; 90; 90	3143.3	Seeka, Chonticha; Prabpai, Samran; Kongsaeree, Palangpon; Tewtrakul, Supinya; Lhinhatrakool, Thitima; Sutthivaiyakit, Somyote Anti-inflammatory 12,20-Epoxypregnane and 11,12-seco-Pregnane Glycosides from the Stems of Hoya kerrii. Journal of natural products, 2017, 80, 1714-1724
1546461	CIF	C18 H19 N3 O3 S	P 1 21/n 1	7.4046; 21.681; 10.616 90; 100.034; 90	1678.2	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
1546462	CIF	C37 H33 N3 O3 S	P -1	11.366; 12.273; 13.051 107.953; 93.513; 111.951	1573.9	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
1546463	CIF	C21 H19 N O	P 1 21/c 1	9.468; 19.074; 9.275 90; 103.8; 90	1626.6	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
1546464	CIF	C13 H27 F2 N O Si	P b c a	11.8766; 11.7308; 23.6382 90; 90; 90	3293.3	Supranovich, Vyacheslav I.; Levin, Vitalij V.; Struchkova, Marina I.; Korlyukov, Alexander A.; Dilman, Alexander D. Radical Silyldifluoromethylation of Electron-Deficient Alkenes. Organic letters, 2017, 19, 3215-3218
1546465	CIF	C20 H20 Br N O6	P 1 21 1	9.2873; 11.4628; 9.2961 90; 98.91; 90	977.71	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
1546466	CIF	C40 H29 N O3 S	P 21 21 21	9.4224; 16.987; 18.8 90; 90; 90	3009.1	Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization. Organic letters, 2017, 19, 3311-3314
1546467	CIF	C26 H20 O	P 1 21/n 1	9.212; 14.231; 13.496 90; 91.5; 90	1768.7	Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization. Organic letters, 2017, 19, 3311-3314
1546468	CIF	C21 H18 O4 S	P -1	7.623; 10.7719; 11.87 97.78; 97.592; 100.123	938.47	Lou, Jiang; Wang, Quannan; Wu, Kaikai; Wu, Ping; Yu, Zhengkun Iron-Catalyzed Oxidative C-H Functionalization of Internal Olefins for the Synthesis of Tetrasubstituted Furans. Organic letters, 2017, 19, 3287-3290
1546469	CIF	C17 H18 B N O3	P 1 21/n 1	22.032; 6.0534; 22.854 90; 104.357; 90	2952.8	Meadows, Margaret K.; Roesner, Emily K.; Lynch, Vincent M.; James, Tony D.; Anslyn, Eric V. Boronic Acid Mediated Coupling of Catechols and N-Hydroxylamines: A Bioorthogonal Reaction to Label Peptides. Organic letters, 2017, 19, 3179-3182
1546470	CIF	C24 H14 O	P 1 21 1	11.113; 4.9271; 13.773 90; 101.305; 90	739.5	Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade. Organic letters, 2017, 19, 3327-3330
1546471	CIF	C33 H17 N3 O	C 1 2/c 1	8.423; 20.457; 28.733 90; 91.783; 90	4949	Wang, Ya-Kun; Wu, Sheng-Fan; Yuan, Yi; Li, Si-Hua; Fung, Man-Keung; Liao, Liang-Sheng; Jiang, Zuo-Quan Donor-σ-Acceptor Molecules for Green Thermally Activated Delayed Fluorescence by Spatially Approaching Spiro Conformation. Organic letters, 2017, 19, 3155-3158
1546472	CIF	C32 H37 Cl2 N O4 S	P 1 21 1	9.4913; 16.766; 10.7446 90; 109.854; 90	1608.17	Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides. Organic letters, 2017, 19, 3207-3210
1546473	CIF	C24 H27 Br O3	P 21 21 21	10.1261; 11.271; 19.4856 90; 90; 90	2223.9	Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides. Organic letters, 2017, 19, 3207-3210
1546474	CIF	C27 H23 N O3	P 21 21 21	6.24343; 16.3321; 20.2668 90; 90; 90	2066.57	Yang, Yu-Jie; Ji, Yuanyuan; Qi, Liangliang; Wang, Guanjun; Hui, Xin-Ping Asymmetric Synthesis of Cyclopenta[3,4]pyrroloindolones via N-Heterocyclic Carbene-Catalyzed Michael/Aldol/Lactamization Cascade Reaction. Organic letters, 2017, 19, 3271-3274
1546475	CIF	C3 H10 O11 Sm	P 1 21/c 1	11.5863; 9.608; 10.1371 90; 118.906; 90	987.88	Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V. Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study IUCrJ, 2017, 4
1546476	CIF	C3 H6 O9 Sm	P 1 21/c 1	8.4368; 9.7963; 9.4986 90; 90.393; 90	785.04	Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V. Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study IUCrJ, 2017, 4
1546477	CIF	H9 O9 P V	P -1	6.379; 8.921; 13.462 79.95; 76.33; 71.03	700	Leonowicz, M. E.; Johnson, Jack W.; Brody, J. F.; Shannon Jr, H. F.; Newsam, J. M. Vanadyl hydrogenphosphate hydrates: VO(HPO4).4H2O and VO(HPO4).0.5H2O Journal of Solid State Chemistry, 1985, 56, 370-378
1546478	CIF	H2 O5.5 P V	P m m n :2	7.42; 9.609; 5.6931 90; 90; 90	405.91	Leonowicz, M. E.; Johnson, Jack W.; Brody, J. F.; Shannon Jr, H. F.; Newsam, J. M. Vanadyl hydrogenphosphate hydrates: VO(HPO4).4H2O and VO(HPO4).0.5H2O Journal of Solid State Chemistry, 1985, 56, 370-378
1546479	CIF	C73 H158 N8 Se Si6 U2	C 1 2/c 1	25.2002; 19.5179; 17.5099 90; 98.942; 90	8507.7	Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange Chem. Sci., 2017
1546480	CIF	C74 H166 N8 O2 S Si6 U2	C 1 2/c 1	29.155; 13.416; 22.949 90; 105.344; 90	8656	Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange Chem. Sci., 2017
1546481	CIF	C39 H93 N7 O P Si3 U	P 21 21 21	13.4366; 14.7631; 25.3924 90; 90; 90	5037	Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange Chem. Sci., 2017
1546482	CIF	C66 H150 N8 S2 Si6 U2	P 1 21/c 1	12.9125; 22.4587; 23.3257 90; 144.194; 90	3957.5	Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange Chem. Sci., 2017
1546483	CIF	C66 H150 N8 Si6 Te U2	P 1 21/n 1	13.8022; 16.3751; 18.0985 90; 92.474; 90	4086.7	Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange Chem. Sci., 2017
1546484	CIF	C22 H22 N2 O7	P -1	10.443; 12.603; 17.396 110.9; 98.5; 90.185	2112	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546485	CIF	C14 H12 F N O3	P -1	5.222; 8.817; 14.578 101.606; 94.434; 94.826	652.1	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546486	CIF	C17 H13 F N2 O2	P 1 21/n 1	11.012; 4.0528; 32.335 90; 94.648; 90	1438.3	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546487	CIF	C8 H9 N3 O5	P 1 21/c 1	8.084; 12.756; 9.49 90; 93.543; 90	976.7	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546488	CIF	C22 H22 N2 O5	P 1 21/n 1	10.878; 12.704; 15.328 90; 107.034; 90	2025.3	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546489	CIF	C20 H16 N4 O9	C 1 2/c 1	27.715; 7.0371; 21.947 90; 105.132; 90	4132	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546490	CIF	C13 H13 N3 O3	P 1 21 1	10.479; 4.9873; 12.644 90; 109.361; 90	623.4	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546491	CIF	C15 H14 N4 O9	P 1 21/n 1	11.8242; 10.035; 15.06 90; 104.953; 90	1726.4	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546492	CIF	C13 H11 F N2 O3	P 1 21/c 1	13.629; 7.151; 13.651 90; 115.649; 90	1199	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546493	CIF	C21 H17 N3 O9	P -1	7.988; 11.004; 12.725 73.939; 75.605; 89.042	1039.5	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546494	CIF	C13 H11 N3 O5	P -1	7.1167; 7.559; 12.8081 85.164; 75.933; 85.895	665.04	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546495	CIF	C26 H22 N6 O10	P 1 21/c 1	8.873; 34.245; 9.175 90; 105.942; 90	2680.7	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546496	CIF	C13 H13 N3 O3	P 1 21/c 1	12.516; 10.899; 9.306 90; 95.296; 90	1264	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
1546497	CIF	C57 H48 N4 O4	P -1	21.17; 22.5739; 24.0674 62.949; 71.882; 67.422	9327.3	Zhu, Wei; Ding, Zheng-Dong; Wang, Xuan; Li, Tao; Shen, Rui; Li, Yunxing; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo A three-dimensional porphyrin-based porous organic polymer with excellent biomimetic catalytic performance Polym. Chem., 2017
1546498	CIF	Cr Cs F4	P -6 2 m	9.65; 9.65; 3.857 90; 90; 120	311.1	Babel, D.; Knoke, G. Structures of fluorides with caesium. IV. The crystal structure of CsCrF4 - a novel tetra-fluorometallate type with chain structure Zeitschrift fur anorganische und allgemeine Chemie, 1978, 442, 151-162
1546499	CIF	Ba Cs F12 Fe3	C 1 2/c 1	17.402; 9.994; 14.928 90; 124.76; 90	2132.9	Renaudin, Jean; Ferey, Gerard; Lahlou-Mimi, Mohammed; Greneche, Jean-Marc; Mary, Yves; de Kozak, Ariel The magnetic properties of the frustrated bidimensional antiferromagnet CsBaFe3F12 Journal of Magnetism and Magnetic Materials, 1991, 92, 381-387
1546500	CIF	Cl3 La3 O6 W	P 63/m	9.4092; 9.4092; 5.4276 90; 90; 120	416.14	Parise, J. B.; Brixner, L. H.; Prince, E. Refinement of the structure of trilanthanum trichlorohexaoxotungstate, La~3~WO~6~Cl~3~, from neutron powder diffraction data Acta Crystallographica, Section C: Crystal Structure Communications, 1983, 39, 1326-1328
1546501	CIF	C14 H10 Br N O	P -1	6.6243; 8.5016; 10.8522 83.908; 86.04; 82.465	601.52	Nguyen, Thanh Binh; Retailleau, Pascal Elemental Sulfur-Promoted Oxidative Rearranging Coupling between o-Aminophenols and Ketones: A Synthesis of 2-Alkyl benzoxazoles under Mild Conditions. Organic letters, 2017, 19, 3887-3890
1546502	CIF	C16.5 H13 Cl1.5 D0.5 N O4 S	P 1 21/c 1	7.5748; 13.3134; 16.6181 90; 93.054; 90	1673.49	Nguyen, Thanh Binh; Retailleau, Pascal Redox-Neutral Access to Sultams from 2-Nitrochalcones and Sulfur with Complete Atom Economy Organic Letters, 2017
1546503	CIF	C62 H68 B F24 P2 Rh	C 1 2/c 1	19.2187; 17.1982; 19.999 90; 90.738; 90	6609.7	Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew Solid–State Molecular Organometallic Chemistry. Single–Crystal to Single–Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates. Chem. Sci., 2017
1546504	CIF	C61 H66 B F24 P2 Rh	P -1	12.7894; 12.8961; 19.8711 91.256; 90.745; 96.863	3252.7	Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates. Chem. Sci., 2017
1546505	CIF	C62 H68 B F24 P2 Rh	P 63 2 2	25.8617; 25.8617; 20.302 90; 90; 120	11759.4	Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates. Chem. Sci., 2017
1546506	CIF	C62 H68 B F24 P2 Rh	C 1 2/c 1	19.1979; 17.1549; 19.9732 90; 90.31; 90	6577.8	Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates. Chem. Sci., 2017
1546507	CIF	C64 H72 B F24 P2 Rh	P -1	13.4908; 14.2693; 18.1051 98.549; 102.097; 94.411	3348.94	Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew Solid–State Molecular Organometallic Chemistry. Single–Crystal to Single–Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates. Chem. Sci., 2017
1546508	CIF	C31 H32 N6 Ni O3	P 1 21 1	10.0992; 20.5006; 13.57 90; 90.2639; 90	2809.5	McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C. Synthetic Modification within the "RPRL" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation. Journal of medicinal chemistry, 2017, 60, 6408-6427
1546509	CIF	C F3 Li O3 S	P 1 21/c 1	10.2432; 5.0591; 9.5592 90; 90.319; 90	495.36	Tremayne, M.; Lightfoot, P.; Mehta, M. A.; Bruce, P. G.; Harris, K. D. M.; Shankland, K.; Gilmore, C. J.; Bricogne, G. Ab initio structure determination of LiCF3SO3 from X-ray powder diffraction data using entropy maximization and likelihood ranking Journal of Solid State Chemistry, 1992, 100, 191-196
1546510	CIF	Al B Li2 O4	P 1 21/c 1	6.272; 5.0701; 10.2989 90; 95.882; 90	325.78	Psycharis, V.; Kapoutsis, I. A.; Chryssikos, G. D. Crystal structure and vibrational spectra of Li2BAlO4 Journal of Solid State Chemistry, 1999, 142, 214-219
1546511	CIF	C10 H25 F2 Ga5 N4 O17 P4	P b c n	13.372; 10.447; 18.538 90; 90; 90	2589.7	Wessels, T.; McCusker, L. B.; Baerlocher, Ch.; Reinert, P.; Patarin, J. Synthesis, characterization and structure determination of a new fluorogallophosphate (Mu-5) prepared in the presence of 1,4,8,11-tetraazacyclotetradecane Microporous and Mesoporous Materials, 1998, 23, 67-77
1546512	CIF	C37 H33 Cl5 N2 O2 P2 Ru	P -1	8.8067; 13.5906; 16.3003 83.2903; 78.3035; 72.0401	1814.26	Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid Catal. Sci. Technol., 2017
1546513	CIF	C35 H40 Cl2 N2 O3 P2 Ru	P 1 21/n 1	13.1524; 14.2669; 18.7481 90; 104.965; 90	3398.7	Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid Catal. Sci. Technol., 2017
1546514	CIF	C37 H34 Cl4 N2 O2 P2 Ru	P 1 21/n 1	14.1626; 17.2124; 15.9415 90; 110.623; 90	3637.1	Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid Catal. Sci. Technol., 2017
1546515	CIF	C38.5 H36 Cl N3 O3 P2 Ru	P 1 c 1	16.1179; 16.1688; 15.2936 90; 107.19; 90	3807.6	Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid Catal. Sci. Technol., 2017
1546516	CIF	C11 H12 F3 N O	P 1	5.0215; 8.6681; 12.6928 80.344; 83.072; 88.4	540.66	Noto, Naoki; Koike, Takashi; Akita, Munetaka Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis Chem. Sci., 2017
1546517	CIF	C17 H19 B F6 S	P b c a	13.8754; 14.2531; 17.5717 90; 90; 90	3475.1	Noto, Naoki; Koike, Takashi; Akita, Munetaka Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis Chem. Sci., 2017
1546518	CIF	C18 H14 F3 N O2	P 21 21 21	8.8605; 12.7157; 13.9809 90; 90; 90	1575.2	jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water Chem. Sci., 2017
1546519	CIF	C17 H11 F3 O3	P b c a	10.159; 9.48; 29.456 90; 90; 90	2836.8	jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water Chem. Sci., 2017
1546520	CIF	C21 H13 F3 O S	P 21 21 21	5.4622; 15.8611; 19.1121 90; 90; 90	1655.81	jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water Chem. Sci., 2017
1546521	CIF	C17 H11 Br F3 N O	P 21 21 21	8.8354; 12.2152; 14.1439 90; 90; 90	1526.5	jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water Chem. Sci., 2017
1546522	CIF	C31 H26 Br2 N2 O2	P 1 21/n 1	9.7785; 24.6674; 11.7616 90; 112.19; 90	2626.9	Kang, Zhenghui; Zhang, Dan; Hu, Wenhao Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives. Organic letters, 2017, 19, 3783-3786
1546523	CIF	Al6 N2 Na8 O28 Si6	P -4 3 n	8.93; 8.93; 8.93 90; 90; 90	712.12	Kempa, P. B.; Engelhardt, G.; Buhl, J. Ch.; Felsche, J.; Harvey, G.; Baerlocher, Ch. X-ray powder diffraction crystal structure analysis and 29Si, 23Na MAS N.M.R. studies of nitrite sodalite, Na8[AlSiO4]6(NO2)2, at 295K Zeolites, 1991, 11, 558-562
1546524	CIF	C20 H19 N O5	P -1	9.1369; 9.5857; 11.5538 81.1656; 75.102; 71.2285	923.11	Mallik, Sumitava; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin Cross-Aldol Reaction of Activated Carbonyls with Nitrosocarbonyl Intermediates: Stereoselective Synthesis toward α-Hydroxy-β-amino Esters and Amides. Organic letters, 2017, 19, 3843-3846
1546525	CIF	C34 H46 O6 Zn	P 1 21/c 1	14.2444; 19.1938; 14.3952 90; 24.1526; 90	1610.37	Nishimoto, Yoshihiro; Kang, Kyoungmin; Yasuda, Makoto Regio- and Stereoselective Anti-Carbozincation of Alkynyl Ethers Using ZnBr2 toward (Z)-β-Zincated Enol Ether Synthesis Organic Letters, 2017
1546526	CIF	C72 Al55 D84 N12 Na13 O384 Si137 Yb14	F d -3 m :2	24.6052; 24.6052; 24.6052 90; 90; 90	14896.4	Czjzek, Mirjam; Vogt, Thomas; Fuess, Harmut Aniline in Yb,Na-Y: a neutron powder diffraction study Zeolites, 1991, 11, 832-836
1546527	CIF	C20 H32 O7.5	C 1 2 1	39.283; 7.0114; 7.3524 90; 94.433; 90	2019	Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle. Organic letters, 2017, 19, 3935-3938
1546528	CIF	C21 H23 N O5 S	P b c a	20.6097; 8.9853; 21.9169 90; 90; 90	4058.7	Li, Xing-Shuo; Zhao, Liang-Liang; Wang, Xiao-Ke; Cao, Li−Li; Shi, Xiao-Qian; Zhang, Rui; Qi, Jing Enantioselective [3 + 2] Annulation of Enals with 2-Aminoacrylates Catalyzed by N-Heterocyclic Carbene Organic Letters, 2017
1546529	CIF	C26 H27 N3 O2 S	P -1	9.3234; 9.9427; 13.0102 78.305; 78.596; 73.067	1117.35	Di Mauro, Giovanni; Maryasin, Boris; Kaiser, Daniel; Shaaban, Saad; González, Leticia; Maulide, Nuno Mechanistic Pathways in Amide Activation: Flexible Synthesis of Oxazoles and Imidazoles. Organic letters, 2017, 19, 3815-3818
1546530	CIF	C40 H40	P -1	9.7034; 11.4834; 12.9123 91.785; 100.949; 98.523	1394.4	Suzuki, Yusuke; Yamada, Kohei; Watanabe, Kentaro; Kochi, Takuya; Ie, Yutaka; Aso, Yoshio; Kakiuchi, Fumitoshi Synthesis of Dibenzo[h,rst]pentaphenes and Dibenzo[fg,qr]pentacenes by the Chemoselective C–O Arylation of Dimethoxyanthraquinones Organic Letters, 2017
1546531	CIF	C40 H40	P -1	5.4448; 15.148; 18.847 108.948; 100.966; 91.599	1436.6	Suzuki, Yusuke; Yamada, Kohei; Watanabe, Kentaro; Kochi, Takuya; Ie, Yutaka; Aso, Yoshio; Kakiuchi, Fumitoshi Synthesis of Dibenzo[h,rst]pentaphenes and Dibenzo[fg,qr]pentacenes by the Chemoselective C–O Arylation of Dimethoxyanthraquinones Organic Letters, 2017
1546532	CIF	C56 H74 N21 O11 P2	P 3 2 1	28.3369; 28.3369; 58.9056 90; 90; 120	40963	Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties Chem. Sci., 2017
1546533	CIF	C498 H722 N171 O97 P16 S	P 1 21 1	26.9085; 36.123; 41.16 90; 92.306; 90	39976	Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties Chem. Sci., 2017
1546534	CIF	C585 H888 N173 O108 P16	P -1	22.1903; 31.9713; 61.8821 76.0283; 79.8139; 73.4101	40554.3	Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties Chem. Sci., 2017
1546535	CIF	C224 H354 N66 O38.61 P6 S4	P -1	28.2322; 28.4659; 39.1611 72.431; 82.444; 60.389	26079.5	Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties Chem. Sci., 2017
1546536	CIF	Co H48 Mo9 N6 O44	R 3 2 :H	16.1035; 16.1035; 12.2637 90; 90; 120	2754.2	Chen, Yongdong; Zhang, Chaolei; Caoping, Yang; Zhang, Jiangwei; zheng, Kai; Fang, Qihua; Li, Gao Waugh type [CoMo9O32]6- cluster with atomically dispersed Co3+ derives from Anderson type [CoMo6O24]3- for photocatalytic oxygen molecule activation Nanoscale, 2017
1546537	CIF	Co H28 Mo6 N O32	P 1 21/c 1	11.432; 10.997; 11.725 90; 99.86; 90	1452.3	Chen, Yongdong; Zhang, Chaolei; Caoping, Yang; Zhang, Jiangwei; zheng, Kai; Fang, Qihua; Li, Gao Waugh type [CoMo9O32]6- cluster with atomically dispersed Co3+ derives from Anderson type [CoMo6O24]3- for photocatalytic oxygen molecule activation Nanoscale, 2017
1546538	CIF	C22 H28 O4	C 1 2/c 1	28.9533; 12.1295; 24.9285 90; 113.233; 90	8044.7	Ivanov, Maxim V.; Wadumethrige, Shriya H.; Wang, Denan; Rathore, Rajendra Through-Space or Through-Bond? The Important Role of Cofaciality in Orbital Reordering and Its Implications for Hole (De)stabilization in Polychromophoric Assemblies The Journal of Physical Chemistry C, 2017, 121, 15639
1546539	CIF	C18 H21 N O S	P c a 21	16.9235; 9.5861; 9.9959 90; 90; 90	1621.6	Ishido, Yuki; Kanbayashi, Naoya; Okamura, Taka-aki; Onitsuka, Kiyotaka Synthesis of Nonnatural Helical Polypeptide via Asymmetric Polymerization and Reductive Cleavage of N–O Bond Macromolecules, 2017, 50, 5301
1546540	CIF	C36 H76 Nb O2 P3 Si6	P 1 21/c 1	13.548; 18.581; 20.379 90; 100.01; 90	5052	Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl) Chem. Sci., 2017
1546541	CIF	C32 H30 Cl Ge Nb O3	P n m a	20.237; 15.315; 9.1804 90; 90; 90	2845.3	Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl) Chem. Sci., 2017
1546542	CIF	C43 H60 Nb O2 P3 Si Sn	P 1 21 1	8.5148; 23.2579; 12.0766 90; 108.779; 90	2264.3	Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl) Chem. Sci., 2017
1546543	CIF	C40 H60 Ge Nb O3 P3 Si	P 1 21 1	8.418; 22.9239; 11.8653 90; 107.548; 90	2183.14	Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl) Chem. Sci., 2017
1546544	CIF	C22 H17 N O3	P 1 21/n 1	14.5554; 7.8349; 15.1967 90; 98.883; 90	1712.25	Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles. Organic letters, 2017, 19, 4134-4137
1546545	CIF	C23 H22 N2 O2	P 1 21/c 1	9.596; 29.048; 7.218 90; 108.926; 90	1903.2	Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles. Organic letters, 2017, 19, 4134-4137
1546546	CIF	C19 H12 F3 N O2	P 1 21/n 1	12.1959; 6.6152; 19.9552 90; 91.621; 90	1609.31	Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles. Organic letters, 2017, 19, 4134-4137
1546547	CIF	C24 H15 F6 N O4	P 1 21/n 1	5.5334; 43.1272; 9.0409 90; 97.636; 90	2138.39	Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles. Organic letters, 2017, 19, 4134-4137
1546548	CIF	C16 H11 N3	P 1 21/c 1	11.1451; 15.552; 6.9737 90; 98.57; 90	1195.2	Yang, Yuan; Yu, Jiang-Xi; Ouyang, Xuan-Hui; Li, Jin-Heng Complex Annulations through Silver Carbenoid Intermediate: An Alternative Entry to Transformations of 1,2,3-Triazoles. Organic letters, 2017, 19, 3982-3985
1546549	CIF	C18 H19 Cl N2 O	P 21 21 21	7.9367; 11.4018; 16.9261 90; 90; 90	1531.69	Zeng, Jun; Zhang, Dong-Bo; Zhou, Pan-Pan; Zhang, Qi-Li; Zhao, Lei; Chen, Jian-Jun; Gao, Kun Rauvomines A and B, Two Monoterpenoid Indole Alkaloids from Rauvolfia vomitoria. Organic letters, 2017, 19, 3998-4001
1546550	CIF HKL Paper	C14 H20 Br2 O2	P 1 21/n 1	9.0845; 5.3436; 15.3509 90; 95.567; 90	741.68	Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan 1,4-Bis(4-bromobutoxy)benzene IUCrData, 2017, 2, x171004
1546551	CIF HKL Paper	C8 H9 N O2 S2	P 1 21/c 1	7.4927; 15.2501; 8.5522 90; 94.923; 90	973.61	Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean; Fiala, Abdelali; Brahim Ladouani, Hayet; Lemallem, Salah Eddine Methyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate IUCrData, 2017, 2, x171018
1546552	CIF HKL Paper	C20 H19 N3 O3 S	P 1 21/n 1	9.1211; 14.6521; 14.2448 90; 104.037; 90	1846.9	Ramli, Youssef; Guerrab, Walid; Moussaif, Ahmed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T. 3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one IUCrData, 2017, 2, x171041
1546553	CIF HKL Paper	C4 H10 N3 O4 P	P 1 21/c 1	8.8083; 6.6316; 15.068 90; 99.539; 90	868	Sindhusha, S.; Padma, C. M.; Gunasekaran, B. Creatininium phosphite IUCrData, 2017, 2, x171043
1546554	CIF HKL Paper	C11 H10 N2 O2	P -1	3.7716; 10.3959; 12.328 78.017; 83.431; 81.266	465.63	Lahmidi, Sanae; Abad, Nadeem; Boulhaoua, Mohammed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T. 3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one IUCrData, 2017, 2, x170991
1546555	CIF HKL Paper	C6 H10 O3 S2	P -1	7.4093; 7.9779; 8.625 67.3; 85.9; 74.068	451.93	Eyer, Lukas N.; McAdam, C. John; Simpson, Jim 2-(Ethoxycarbonothioylthio)propanoic acid IUCrData, 2017, 2, x171035
1546556	CIF	Cl16 Pb5 Rb6	P 4/m b m	11.85519; 11.85519; 11.23711 90; 90; 90	1579.33	Beck, Horst P.; Schramm, Manfred; Hakerborn, Robert; Dinnebier, Robert; Stephens, Peter W. Synthesis and crystal structure of Rb6Pb5Cl16 Zeitschrift fur anorganische und allgemeine Chemie, 1998, 624, 393-398
1546557	CIF	C43 H64 Cl4 N4 O3 Si Zn2	P -1	12.7971; 12.8687; 15.4609 99.546; 92.234; 106.915	2391.96	Yao, Shenglai; Xiong, Yun; Driess, Matthias A New Area in Main-Group Chemistry: Zerovalent Monoatomic Silicon Compounds and Their Analogues Accounts of Chemical Research, 2017
1546558	CIF	C20 H26 I2	P 21 21 21	6.5861; 11.262; 27.326 90; 90; 90	2026.8	Ogasawara, Masamichi; Sasa, Hirotaka; Hu, Hao; Amano, Yuta; Nakajima, Hikaru; Takenaga, Naoko; Nakajima, Kiyohiko; Kita, Yasuyuki; Takahashi, Tamotsu; Dohi, Toshifumi Atropisomeric Chiral Diiododienes (Z,Z)-2,3-Di(1-iodoalkylidene)tetralins: Synthesis, Enantiomeric Resolution, and Application in Asymmetric Catalysis Organic Letters, 2017
1546559	CIF	C12 H18 O2	F d d 2	20.1291; 36.079; 5.9649 90; 90; 90	4331.9	Armaly, Ahlam M.; Bar, Sukanta; Schindler, Corinna S. Aluminum Chloride-Mediated Dieckmann Cyclization for the Synthesis of Cyclic 2-Alkyl-1,3-alkanediones: One-Step Synthesis of the Chiloglottones. Organic letters, 2017, 19, 3958-3961
1546560	CIF	C29 H26 O7	P 1 21 1	11.2281; 9.6521; 24.3706 90; 101.793; 90	2585.4	Wang, Zhen; Wang, Tianli; Yao, Weijun; Lu, Yixin Phosphine-Catalyzed Enantioselective [4 + 2] Annulation of o-Quinone Methides with Allene Ketones Organic Letters, 2017
1546561	CIF	C24 H20 O5 S	P 1 21 1	5.4465; 12.4107; 14.8394 90; 92.621; 90	1002.02	Wang, Zhen; Wang, Tianli; Yao, Weijun; Lu, Yixin Phosphine-Catalyzed Enantioselective [4 + 2] Annulation of o-Quinone Methides with Allene Ketones Organic Letters, 2017
1546562	CIF	C14 H20 O4	P 21 21 21	7.69085; 7.90495; 21.4299 90; 90; 90	1302.85	Otaka, Junnosuke; Hashizume, Daisuke; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Koshino, Hiroyuki; Futamura, Yushi; Osada, Hiroyuki Hitoyol A and B, Two Norsesquiterpenoids from the Basidiomycete Coprinopsis cinerea Organic Letters, 2017
1546563	CIF	C8 H6 Br2 O4	P 1 21/c 1	8.56023; 16.3196; 6.91885 90; 94.8033; 90	963.166	Simeth, Nadja; Kneuttinger, Andrea; Sterner, Reinhard; Koenig, Burkhard Photochromic Coenzyme Q Derivatives: Switching Redox Potentials with Light Chem. Sci., 2017
1546564	CIF	C12 H11 N5	C 1 2/c 1	21.5686; 5.8077; 18.0356 90; 110.13; 90	2121.2	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546565	CIF	C30 H22 F4 I2 N10	P -1	17.386; 19.378; 19.435 92.996; 106.71; 106.56	5946.6	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546566	CIF	C18 H21 N5 O4	P 1 21/n 1	17.295; 4.8014; 21.977 90; 90.912; 90	1824.7	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546567	CIF	C12 H11 N5	P -1	5.493; 10.339; 10.611 112.83; 99.24; 94.16	542.1	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546568	CIF	C19 H17 N5 O2	P -1	6.4269; 9.9656; 13.5194 96.691; 95.686; 100.603	838.84	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546569	CIF	C16 H17 N5 O4	P -1	5.0716; 11.314; 14.051 90.818; 99.19; 99.925	783.3	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546570	CIF	C15 H11 F2 I N5	P -1	5.0691; 8.055; 19.75 93.952; 93.442; 105.938	771	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546571	CIF	C20 H25 N5 O4	P -1	5.1948; 10.8967; 18.2317 105.579; 95.607; 100.104	967.21	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546572	CIF	C18 H11 F3 I3 N5	P 1 21/c 1	16.0707; 9.0666; 14.861 90; 107.218; 90	2068.3	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546573	CIF	C19 H17 N5 O2	P -1	7.028; 9.024; 13.602 90.229; 91.564; 93.223	860.9	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546574	CIF	C12 H11 N5	P 1 21/n 1	7.49; 9.841; 15.253 90; 99.072; 90	1110.2	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546575	CIF	C18 H22 N5 O2	P -1	5.2936; 7.9437; 22.8847 81.583; 85.5; 70.615	897.53	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546576	CIF	C30 H32 N10 O4	P -1	8.0078; 10.167; 18.969 79.276; 82.529; 70.64	1427.7	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546577	CIF	C15 H11 F2 I N5	P -1	5.4649; 11.66; 12.493 84.163; 80.913; 76.728	763.3	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546578	CIF	C34 H40 N10 O4	P -1	5.7402; 9.3514; 14.973 97.467; 91.771; 97.861	788.5	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546579	CIF	C31 H26 F4 I2 N10 O	P -1	13.4945; 14.8017; 19.3714 111.285; 92.518; 112.668	3249.9	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546580	CIF	C16 H17 N5 O4	P -1	4.8081; 11.021; 14.819 97.881; 91.543; 90.181	777.5	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
1546581	CIF	C28 H16 N10 Ni S4	I -4	10.256; 10.256; 13.16 90; 90; 90	1384.2	Xue, Dan; Luo, Su-Ping; Zhan, Shu-Zhong A coordinatively saturated nickel complex supported by triazenido ligands: a new electrocatalyst for hydrogen generation via ligand-centered proton-transfer New Journal of Chemistry, 2017, 41, 8503-8508
1546582	CIF	Cs2 O8 P2 Ti	P n m a	13.521; 7.253; 9.439 90; 90; 90	925.7	Daidouh, Abdelaali; Veiga, M. L.; Pico, C. Structure determination of the new layered compound Cs2TiP2O8 and ionic conductivity of Cs2MP2O8 (M = Ti, V) Solid State Ionics, 1997, 104, 285-294
1546583	CIF	C30 H36.5 Cl3 N O8 P Pd S	P 1 21/n 1	11.1958; 21.7534; 14.9104 90; 95.643; 90	3613.8	Gaikwad, Shahaji R.; Deshmukh, Satej S.; Koshti, Vijay S.; Poddar, Suparna; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Chikkali, Samir H. Reactivity of Difunctional Polar Monomers and Ethylene Copolymerization: A Comprehensive Account Macromolecules, 2017, 50, 5748
1546584	CIF	C29 H26 Au Cl N2 O2	I -4 2 m	19.1131; 19.1131; 14.8158 90; 90; 90	5412.4	McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes Chem. Sci., 2017
1546585	CIF	C58 H52 Ag Au Cl2 N4 O4	P n a 21	22.04; 16.674; 14.2441 90; 90; 90	5234.6	McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes Chem. Sci., 2017
1546586	CIF	C20 H16 N4 O2	P 1 21/c 1	8.473; 5.922; 15.324 90; 91.525; 90	768.6	Kuwar, Anil; Torawane, Pritam D.; Keshav, Karunesh; Kumawat, Mukesh Kumar; Srivastava, Rohit; thangaraj, anand; Sahoo, Suban K.; Borse, Amulrao Uttamrao A novel terephthalaldehyde based turn-on fluorescent chemosensor for Cu2+ and its application in living cells imaging Photochem. Photobiol. Sci., 2017
1546587	CIF HKL Paper	C12 H13 Cl N2 O2	I 1 2/a 1	14.6454; 12.0415; 15.1149 90; 115.621; 90	2403.5	El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar 6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione IUCrData, 2017, 2, x171052
1546588	CIF HKL Paper	C12 H12 N2 O2	P -1	4.5801; 10.87; 10.971 101.043; 98.854; 99.868	518.21	Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T. (4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one IUCrData, 2017, 2, x171057
1546589	CIF HKL Paper	C72 H76 B2 N4 Ni S2	C 1 2/c 1	16.376; 9.9864; 36.605 90; 99.419; 90	5905.6	Meloccaro, Alexandra; Zimmerman, Joshua R.; Eichhorn, David M. Bis{2-[({[3-(dimethylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetraphenylborate IUCrData, 2017, 2, x171067
1546590	CIF	C13 H13 N O4	P 1 21/c 1	9.308; 30.611; 8.38 90; 96.194; 90	2373.75	Scarpi, Dina; Faggi, Cristina; Occhiato, Ernesto G. Total Synthesis of Bruceolline I. Journal of natural products, 2017, 80, 2384-2388
1546591	CIF	C29 H35 N3 O6	P n a 21	17.429; 12.471; 13.016 90; 90; 90	2829	Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J. Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas. Organic letters, 2017, 19, 4110-4113
1546592	CIF	C24 H27 N3 O4	P 42/n :2	19.9133; 19.9133; 11.122 90; 90; 90	4410.3	Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J. Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas. Organic letters, 2017, 19, 4110-4113
1546593	CIF	C10 H12 N4 O4	P 1 21/c 1	12.906; 7.767; 12.122 90; 117.06; 90	1082.1	Zhao, Yi; Mandadapu, Vijaybabu; Iranmanesh, Hasti; Beves, Jonathon E.; Day, Anthony I. The Inheritance Angle: A Determinant for the Number of Members in the Substituted Cucurbit[n]uril Family. Organic letters, 2017
1546594	CIF	C25 H24 N2 O2 S	P 21 21 21	8.6843; 14.2721; 17.1469 90; 90; 90	2125.24	Wang, Ya-Ni; Wang, Bao-Cheng; Zhang, Mao-Mao; Gao, Xiao-Wen; Li, Tian-Ren; Lu, Liang-Qiu; Xiao, Wen-Jing Hydrogen Bond Direction Enables Palladium-Catalyzed Branch- and Enantioselective Allylic Aminations and Beyond. Organic letters, 2017, 19, 4094-4097
1546595	CIF	C12 H16 O4	P 21 21 21	5.8336; 8.0111; 25.951 90; 90; 90	1212.78	Fang, Lizhen; Liu, Saisai; Han, Lili; Li, Huanhuan; Zhao, Fangfei Ruthenium-Catalyzed Synthesis of <i>cis</i> -2,3-Dihydrobenzofuran-3-ols by Aqueous Transfer Hydrogenation via Dynamic Kinetic Resolution Organometallics, 2017, 36, 1217-1219
1546596	CIF	C32 H25 P	P -1	8.516; 11.6325; 12.4299 86.573; 72.136; 83.904	1164.86	Rawe, Benjamin W.; Brown, Christopher M.; MacKinnon, Marc R.; Patrick, Brian O.; Bodwell, Graham J.; Gates, Derek P. A C-Pyrenyl Poly(methylenephosphine): Oxidation “Turns On” Blue Photoluminescence in Solution and the Solid State Organometallics, 2017, 36, 2520
1546597	CIF	C28 H33 N7 O10 S	P 1 21/n 1	11.585; 18.121; 14.653 90; 99.339; 90	3035.4	Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State. Organic letters, 2017, 19, 738-741
1546598	CIF	C20 H20 N2 O2 S	P 21 21 21	10.9681; 12.3253; 12.9362 90; 90; 90	1748.78	Lang, Bo; Zhu, Huangtianzhi; Wang, Chen; Lu, Ping; Wang, Yanguang Rhodium-Catalyzed Cycloadditions between 3-Diazoindolin-2-imines and 1,3-Dienes. Organic letters, 2017
1546599	CIF	C21 H22 N2 O2 S	P 1 21/n 1	14.3337; 6.8499; 18.7839 90; 95.751; 90	1835	Lang, Bo; Zhu, Huangtianzhi; Wang, Chen; Lu, Ping; Wang, Yanguang Rhodium-Catalyzed Cycloadditions between 3-Diazoindolin-2-imines and 1,3-Dienes. Organic letters, 2017
1546600	CIF	C23 H27 N3 O4 S2	P 1 21 1	8.4373; 6.1045; 22.251 90; 92.183; 90	1145.22	Fu, Liangbing; Davies, Huw M. L. Scope of the Reactions of Indolyl- and Pyrrolyl-Tethered N-Sulfonyl-1,2,3-triazoles: Rhodium(II)-Catalyzed Synthesis of Indole- and Pyrrole-Fused Polycyclic Compounds. Organic letters, 2017
1546601	CIF	C19 H20 O4	P b c a	12.864; 14.501; 16.567 90; 90; 90	3090.4	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
1546602	CIF	C19 H20 O5	C 1 c 1	24.743; 9.58; 7.166 90; 100.81; 90	1668.5	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
1546603	CIF	C30 H22 Br2 O6 P2	P c c a	27.0189; 14.0226; 7.2637 90; 90; 90	2752.04	Essid, I.; Laborde, C.; Legros, F.; Sevrain, N.; Touil, S.; Rolland, M.; Ayad, T.; Volle, J.-N.; Pirat, J.-L.; Virieux, D. Phosphorus-Containing Bis-allenes: Synthesis and Heterocyclization Reactions Mediated by Iodine or Copper Dibromide. Organic letters, 2017
1546604	CIF	C25 H40 O2	P 1 21 1	10.0327; 8.5099; 13.3176 90; 98.664; 90	1124.05	Shao, Jie; Chen, Qing-Wen; Lv, Hua-Jun; He, Juan; Liu, Zhi-Feng; Lu, Yan-Na; Liu, Hai-Li; Wang, Guo-Dong; Wang, Yong (+)-Thalianatriene and (-)-Retigeranin B Catalyzed by Sesterterpene Synthases from Arabidopsis thaliana. Organic letters, 2017
1546605	CIF	C18 H8 F7 N O3 S	P -1	8.6658; 9.3186; 10.85 86.299; 89.117; 72.381	833.32	Asanuma, Yuki; Eguchi, Hiroshi; Nishiyama, Hiroki; Tomita, Ikuyoshi; Inagi, Shinsuke Synthesis of Ring-Fused Pyridinium Salts by Intramolecular Nucleophilic Aromatic Substitution Reaction and Their Optoelectronic Properties. Organic letters, 2017
1546606	CIF	C30 H16 F8 N2 O6 S2	P -1	8.275; 8.3407; 11.0735 69.659; 83.463; 74.09	689.03	Asanuma, Yuki; Eguchi, Hiroshi; Nishiyama, Hiroki; Tomita, Ikuyoshi; Inagi, Shinsuke Synthesis of Ring-Fused Pyridinium Salts by Intramolecular Nucleophilic Aromatic Substitution Reaction and Their Optoelectronic Properties. Organic letters, 2017
1546607	CIF	C10 H9 F3 O3	P 21 21 21	7.631; 8.0161; 16.2346 90; 90; 90	993.08	Smith, David T.; Vitaku, Edon; Njardarson, Jon T. Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products. Organic letters, 2017, 19, 3508-3511
1546608	CIF	C12 H8 F6 O3	P -1	4.9314; 9.4371; 13.4664 75.537; 83.093; 78.25	592.53	Smith, David T.; Vitaku, Edon; Njardarson, Jon T. Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products. Organic letters, 2017, 19, 3508-3511
1546609	CIF	C28 H25 B N3 O	P c c n	18.38; 28.155; 8.802 90; 90; 90	4555	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
1546610	CIF	C12 H19 N O S	P 21 21 21	8.0355; 10.362; 15.234 90; 90; 90	1268.4	Yu, Hui; Gao, Bao; Hu, Bin; Huang, Hanmin Charge-Transfer Complex Promoted C-N Bond Activation for Ni-Catalyzed Carbonylation. Organic letters, 2017, 19, 3520-3523
1546611	CIF	C15 Cl2 N3 O	C 1 2/c 1	20.604; 11.3027; 16.5652 90; 127.042; 90	3079.2	Panda, Subhankar; Maity, Pradip; Manna, Debasis Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles. Organic letters, 2017
1546612	CIF	C16 N5	P -1	7.2695; 11.4642; 17.2756 96.328; 101.12; 94.76	1396.05	Panda, Subhankar; Maity, Pradip; Manna, Debasis Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles. Organic letters, 2017
1546613	CIF	C20 H13 Cl F N3	P 1 21/n 1	5.7596; 17.4769; 16.4078 90; 95.079; 90	1645.12	Panda, Subhankar; Maity, Pradip; Manna, Debasis Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles. Organic letters, 2017
1546614	CIF	C18 H14 F2 O2	P -1	6.572; 9.09; 12.884 77.172; 75.946; 79.191	720.7	Chang, Jian; Xu, Cong; Gao, Jie; Gao, Fengyun; Zhu, Dongsheng; Wang, Mang Me3SiCF2Br-Self-Assisted Domino Reaction: Catalytic Synthesis of α,α-Difluorocyclopentanones from Methylvinylketones. Organic letters, 2017
1546615	CIF	C42 H18 Br6 N12 O6	P 1 21/c 1	6.6836; 27.722; 27.939 90; 96.193; 90	5146.4	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
1546616	CIF	C13 H16 Cl N5 O	P 1 21/a 1	11.5361; 7.8544; 15.7254 90; 93.296; 90	1422.51	Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander De Novo Assembly of Highly Substituted Morpholines and Piperazines. Organic letters, 2017, 19, 642-645
1546617	CIF	C19 H20 N2 O4 S	P 21 21 21	6.36858; 17.0054; 17.2914 90; 90; 90	1872.66	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
1546618	CIF	C22 H25 N3 O6 S	P 1 21 1	13.2053; 5.3447; 15.9599 90; 93.674; 90	1124.11	Xu, Xue; Wang, Yong; Cui, Xin; Wojtas, Lukasz; Zhang, Peter Metalloradical Activation of α-Formyldiazoacetates for Catalytic Asymmetric Radical Cyclopropanation of Alkenes Chem. Sci., 2017
1546619	CIF	C54 H76 Cl4 N4 Ni2	P -1	9.8953; 12.1959; 12.3731 110; 107.743; 96.007	1299.51	Kang, Byungjoon; Hong, Soon Hyeok Photoredox Mediated Nickel Catalyzed C(sp3)‒H Thiocarbonylation of Ethers Chem. Sci., 2017
1546620	CIF	C25 H29 N2 O4 S2	P -1	9.5654; 10.5731; 13.0829 103.702; 107.842; 96.75	1197.54	Zhou, Hui; Chaminda Lakmal, Hetti Handi; Baine, Jonathan; Valle, Henry; Xu, Xue; Cui, Xin Catalytic [2+2+2] Cycloaddition with Indium(III)-Activated Formaldimines: A Practical and Selective Access to Hexahydropyrimidines and 1,3-Diamines from Alkenes Chem. Sci., 2017
1546621	CIF	C25 H25 Cl N2 O4 S2	C 1 2/c 1	43.257; 7.7831; 14.4728 90; 95.035; 90	4853.8	Zhou, Hui; Chaminda Lakmal, Hetti Handi; Baine, Jonathan; Valle, Henry; Xu, Xue; Cui, Xin Catalytic [2+2+2] Cycloaddition with Indium(III)-Activated Formaldimines: A Practical and Selective Access to Hexahydropyrimidines and 1,3-Diamines from Alkenes Chem. Sci., 2017
1546622	CIF	C16 H13 N3 O5	P 1 21 1	7.2451; 9.38179; 10.91846 90; 90.4932; 90	742.12	Cheng, Li-Jie; Brown, Alexander P., N.; Cordier, Christopher J. Enantioselective Propargylic [1,3]-Rearrangements: Copper-Catalyzed O-to-N Migrations Toward C–N Bond Formation Chem. Sci., 2017
1546623	CIF	C19 H28 O3 Si	P 1 21 1	21.9182; 6.1752; 14.8927 90; 100.846; 90	1979.71	Zhang, Yu; Liao, Yuting; Liu, Xiaohua; Xu, Xi; Lin, Lili; Feng, Xiaoming Catalytic Asymmetric Hydroxylative Dearomatization of 2-Naphthols: Synthesis of Lacinilene Derivatives Chem. Sci., 2017
1546624	CIF	C30 H18	P 1 21 1	12.778; 5.158; 14.363 90; 98.059; 90	937.3	Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017
1546625	CIF	C30 H18	P 1 21/n 1	8.001; 11.525; 20.641 90; 96.436; 90	1891.3	Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017
1546626	CIF	C30 H18	P b c a	7.56; 20.153; 23.743 90; 90; 90	3617	Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017
1546627	CIF HKL Paper	C16 H18 N4 O2 Se2	P 1 21/n 1	7.167; 8.726; 13.947 90; 96.375; 90	866.8	Guo, Zhiqiang; Wang, Yakong; Xu, Ying; Wei, Xuehong 2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide) IUCrData, 2017, 2, x170882
1546628	CIF HKL Paper	C29 H45 N O5	P 21 21 21	8.3161; 9.9302; 33.0414 90; 90; 90	2728.58	Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Hernández Linares, María-Guadalupe; Bernès, Sylvain (3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate IUCrData, 2017, 2, x170491
1546629	CIF HKL Paper	C12 H18 N6 O9	P 21 21 21	7.6932; 10.1152; 20.9336 90; 90; 90	1629	Jaikumar, P.; Sundar, T. V.; Sharmila, N.; Balakrishnan, T.; Ramamurthi, K. Hydrogen-bonding patterns in bis(cytosinium) tartarate monohydrate IUCrData, 2017, 2, x170448
1546630	CIF HKL Paper	C9 H7 N3 O3	P 1 21/c 1	3.8919; 20.4831; 11.258 90; 92.757; 90	896.43	Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; El Karkour, Meryeme; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-(6-Nitro-1<i>H</i>-indazol-1-yl)ethanone IUCrData, 2017, 2, x170831
1546631	CIF HKL Paper	C24 H18 N2 O	P -1	9.9251; 12.2293; 15.1738 84.318; 78.538; 89.88	1795.86	Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma 3-Methyl-5,6-diphenyl-1<i>H</i>-pyrazolo[1,2-<i>a</i>]cinnolin-1-one IUCrData, 2017, 2, x170534
1546632	CIF HKL Paper	C15 H16 N3 O3.5 S	P -1	8.3013; 13.1934; 15.3583 103.241; 105.47; 93.046	1566.3	Bouissane, Latifa; Mojahidi, Souad; Rakib, El Mostapha; Chicha, Hakima; Saadi, Mohamed; El Ammari, Lahcen 4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate IUCrData, 2017, 2, x170645
1546633	CIF HKL Paper	C15 H10 F6 O3 S	P -1	8.2805; 8.6053; 12.2396 103.519; 99.935; 105.188	792.56	Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz 3,5-Bis(trifluoromethyl)phenyl 4-methylbenzenesulfonate IUCrData, 2017, 2, x170981
1546634	CIF HKL Paper	C33 H27 N O2	P c a 21	17.5297; 12.1853; 12.0781 90; 90; 90	2579.94	Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T. 3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione IUCrData, 2017, 2, x170581
1546635	CIF HKL Paper	C10 H10 Cl N3 O3	P -1	4.3949; 9.9144; 13.1376 98.481; 90.755; 97.377	561.19	Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol IUCrData, 2017, 2, x170637
1546636	CIF HKL Paper	C21 H19 N3 O2	P 1 21 1	9.0503; 5.9762; 16.3508 90; 102.732; 90	862.61	Moriwaki, Ryoji; Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro 6-[(<i>R</i>)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one IUCrData, 2017, 2, x170979
1546637	CIF HKL Paper	C15 H22 O4	P 1 21 1	8.7453; 8.6888; 9.2511 90; 95.936; 90	699.19	Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate IUCrData, 2017, 2, x170500
1546638	CIF HKL	C33 H48 O8	P 21 21 21	9.7437; 12.2437; 26.8215 90; 90; 90	3199.78	Kavitha, T.; Anandkumar, Devaraj; Rajakumar, Perumal; Bargavi, Srinivasan; Lakshmi, Srinivasakannan (3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-3,7,12-triyl triacetate IUCrData, 2017, 2, x170436
1546639	CIF HKL Paper	C16 H22 N4 S2	P -1	7.1335; 10.6863; 11.883 99.856; 93.53; 101.937	868.75	Partl, Gabriel; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig 3,3'-(Hexane-1,6-diyl)bis(1-vinyl-4-imidazoline-2-thione) IUCrData, 2017, 2, x170599
1546640	CIF HKL Paper	C16 H9 F O4	P -1	6.8116; 7.2402; 13.4826 96.943; 90.862; 106.139	633.21	Ziki, Eric; Sosso, Siaka; Cissé, Lamine; Bany, Guy Euloge; Djandé, Abdoulaye; Kakou-Yao, Rita 2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate IUCrData, 2017, 2, x170550
1546641	CIF HKL Paper	C16 H11 N O3	P -1	7.307; 8.7763; 11.2927 91.059; 107.867; 109.814	642.36	Filali Baba, Yassir; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate IUCrData, 2017, 2, x171072
1546642	CIF HKL Paper	C20 H17 Cl N2 O3 S	P 1 21/n 1	6.2315; 15.5466; 18.9162 90; 98.845; 90	1810.78	Ellouz, Mohamed; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T. (2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one IUCrData, 2017, 2, x170646
1546643	CIF HKL Paper	C32 H30 N2 O4	P 1 21/n 1	13.9601; 11.1172; 16.7313 90; 96.019; 90	2582.34	Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan 5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione IUCrData, 2017, 2, x170639
1546644	CIF HKL Paper	C23 H23 Cl N2 O4 S	C 1 2/c 1	27.4679; 9.5818; 20.2584 90; 117.398; 90	4733.78	Mague, Joel T.; Al-Taifi, Elham A.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A. Methyl 2-{[(6<i>S*</i>,7<i>R*</i>,8<i>S*</i>)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate IUCrData, 2017, 2, x170868
1546645	CIF HKL Paper	C14 H20 N2 O5	C 1 2 1	13.6968; 12.1053; 9.6353 90; 105.17; 90	1541.9	Sivakumar, P.; Ezhamani, G.; Israel, S.; Chakkaravarthi, G. 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate IUCrData, 2017, 2, x170649
1546646	CIF HKL Paper	C15 H20 Br N3 O2	P n a 21	22.569; 5.1097; 13.497 90; 90; 90	1556.5	Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar 7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione IUCrData, 2017, 2, x170984
1546647	CIF HKL Paper	C17 H15 N5	P 1 21/c 1	5.3483; 14.1861; 19.1408 90; 97.451; 90	1439.98	Sahbi, Azzeddine; Fichtali, Ismail; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Kandri Rodi, Youssef 1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-1,3-benzodiazole IUCrData, 2017, 2, x170944
1546648	CIF HKL Paper	C17 H20 N2 O4 S	P 1 21/n 1	11.6978; 7.1331; 21.1822 90; 95.311; 90	1759.89	Viswanathan, Vijayan; Yasmin, Sabina; Jayaprakash, Venkatesan; Velmurugan, Devadasan <i>N</i>,<i>N</i>-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide IUCrData, 2017, 2, x170716
1546649	CIF HKL Paper	C25 H22 N2 O2 S	P 1 21/c 1	9.784; 10.291; 21.58 90; 99.528; 90	2143	Archana, K.; Saravanan, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S. 3-(4-Methoxyphenyl)-4-methyl-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide IUCrData, 2017, 2, x170721
1546650	CIF HKL Paper	C23 H18 O5	P 1 21/n 1	5.8882; 16.418; 18.894 90; 95.016; 90	1819.5	Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma 8-Hydroxy-3,4-bis(4-methoxyphenyl)-1<i>H</i>-isochromen-1-one IUCrData, 2017, 2, x170535
1546651	CIF HKL Paper	C17 H17 N3 O	P n a 21	12.035; 24.5052; 4.9909 90; 90; 90	1471.92	Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T. 2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile IUCrData, 2017, 2, x170706
1546652	CIF HKL Paper	C13 H12 Hg S	I -4	20.4402; 20.4402; 5.7266 90; 90; 90	2392.58	Nath, Paras; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P. (Benzylthiolato-κS)phenylmercury(II) IUCrData, 2017, 2, x170503
1546653	CIF HKL Paper	C24 H38 N2 O2	C 1 2/c 1	26.407; 14.3718; 12.9624 90; 108.312; 90	4670.3	El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T. 1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione IUCrData, 2017, 2, x170520
1546654	CIF HKL Paper	C12 H9 Cl N4 O4 S	C 1 2/c 1	33.5367; 5.5506; 14.7248 90; 96.873; 90	2721.3	Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen 2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate IUCrData, 2017, 2, x170465

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