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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
4135472	CIF	Al0.86 Bi11 Ca13.95 Lu0.19	I 41/a c d :2	17.026; 17.026; 22.735 90; 90; 90	6590.5	Baranets, Sviatoslav; Bobev, Svilen Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11 Journal of the American Chemical Society, 2020
4135473	CIF	Al0.93 Bi11 Ca13.91 Tm0.17	I 41/a c d :2	17.019; 17.019; 22.714 90; 90; 90	6579	Baranets, Sviatoslav; Bobev, Svilen Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11 Journal of the American Chemical Society, 2020
4135474	CIF	Al Bi11 Ca13.9 La0.1	I 41/a c d :2	17.029; 17.029; 22.689 90; 90; 90	6579.5	Baranets, Sviatoslav; Bobev, Svilen Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11 Journal of the American Chemical Society, 2020
4135475	CIF	C21 H15 Br2 N O3 S	P 21 21 21	6.75499; 10.0036; 28.9 90; 90; 90	1952.89	Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis Journal of the American Chemical Society, 2020
4135476	CIF	C30 H23 Br Cl2 N4 O5 S	P -1	10.1732; 10.8571; 14.6473 71.482; 78.632; 79.222	1490.43	Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis Journal of the American Chemical Society, 2020
4135477	CIF	C26 H54 F6 N3.8 O4 P3 Ru S2	P -1	10.2586; 11.4779; 16.7535 79.687; 82.79; 78.383	1892.84	Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F. Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction. Journal of the American Chemical Society, 2020
4135478	CIF	C29 H55 Cl2 F12 N4 O8 P3 Ru S4	P 1 21/c 1	10.5702; 18.7348; 24.3472 90; 92.934; 90	4815.17	Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F. Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction. Journal of the American Chemical Society, 2020
4135479	CIF	C22 H45 F12 N2 O8.25 P3 Ru S4	P 1 21/c 1	11.433; 18.944; 18.126 90; 91.423; 90	3924.6	Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F. Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction. Journal of the American Chemical Society, 2020
4135480	CIF	C26 H52 F6 N3 O4 P3 Ru S2	P 1 21/n 1	12.6581; 14.3288; 20.7537 90; 106.345; 90	3612.08	Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F. Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction. Journal of the American Chemical Society, 2020
4135481	CIF	C39 H74 Au0.5 K0.5 N O35	P 1	13.713; 13.7765; 15.619 86.125; 86.183; 60.219	2553.29	Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin. Journal of the American Chemical Society, 2020
4135482	CIF	C38 H74 Au K N2 O37	P 21 21 21	13.99063; 23.4405; 51.2967 90; 90; 90	16822.6	Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin. Journal of the American Chemical Society, 2020
4135483	CIF	C78 H148 Ag K N2 O70	P 1	13.7332; 13.7848; 15.6408 86.135; 86.215; 60.269	2563.5	Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin. Journal of the American Chemical Society, 2020
4135484	CIF	C116 H55 N5 Ni Sc3	C 1 2/m 1	25.65; 16.48; 17.35 90; 106.05; 90	7048	Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal Journal of the American Chemical Society, 2020
4135485	CIF	C116 H55 N5 Ni Sc3	P 1 21/c 1	17.21; 16.42; 25.76 90; 106.31; 90	6987	Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal Journal of the American Chemical Society, 2020
4135486	CIF	C116 H55 N5 Ni Sc3	C 1 2/m 1	25.67; 16.53; 17.42 90; 105.99; 90	7106	Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal Journal of the American Chemical Society, 2020
4135487	CIF	C15 H14 Cl N O	P 21 21 2	35.208; 8.244; 9.711 90; 90; 90	2818.7	Yao, Ya-Hong; Yang, Hui-Yi; Chen, Ming; Wu, Fei; Xu, Xing-Xing; Guan, Zheng-Hui Asymmetric Markovnikov Hydroaminocarbonylation of Alkenes Enabled by Palladium-Monodentate Phosphoramidite Catalysis Journal of the American Chemical Society, 2020
4135488	CIF	C223 H178.5 Ag8 F36 I2 N48.5 O25.5 S12	P -1	21.642; 24.0386; 25.2054 80.592; 81.819; 79.012	12615.5	McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R. Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates Journal of the American Chemical Society, 2020
4135489	CIF	C221 H204.5 Ag12 B4 F16 N46.5 O22.5 S4	R -3 :H	23.9775; 23.9775; 70.6392 90; 90; 120	35171	McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R. Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates Journal of the American Chemical Society, 2020
4135490	CIF	C28 H30 Fe N P	P 1 21/n 1	9.068; 18.588; 14.778 90; 97.915; 90	2467	Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene Journal of the American Chemical Society, 2020
4135491	CIF	C28 H41 Fe O P	P 1 21/c 1	10.3021; 15.5176; 15.833 90; 97.035; 90	2512.07	Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene Journal of the American Chemical Society, 2020
4135492	CIF	C36 H46 Fe N3 P Sn	P -1	11.1228; 12.5847; 14.3033 68.935; 74.78; 72.989	1758.59	Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene Journal of the American Chemical Society, 2020
4135493	CIF	C48 H76 Fe N P Sn2	P -1	10.3649; 12.66; 20.0264 80.482; 81.219; 66.868	2372.1	Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene Journal of the American Chemical Society, 2020
4135494	CIF	C37 H48 Fe N O P Sn	P -1	11.1311; 12.5609; 14.3749 68.552; 73.77; 72.278	1749.54	Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene Journal of the American Chemical Society, 2020
4135495	CIF	C36 H36 Fe N P	P -1	10.2056; 11.5487; 13.9039 100.883; 90.65; 113.739	1466.13	Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene Journal of the American Chemical Society, 2020
4135496	CIF	C72 H94 Fe2 O2 P2	P 1 21/c 1	10.5741; 17.7274; 33.2179 90; 92.91; 90	6218.71	Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene Journal of the American Chemical Society, 2020
4135497	CIF	C40 H51 Fe2 O P	P -1	10.3227; 12.8127; 13.4047 99.047; 101.93; 92.236	1708.36	Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene Journal of the American Chemical Society, 2020
4135498	CIF	C50 H78 O10 P4 Re2	P -1	8.677; 12.469; 13.453 98.51; 98.6; 105.218	1361.7	Hu, Jenny; Bruch, Quinton J.; Miller, Alexander J. M. Temperature and Solvent Effects on H<sub>2</sub> Splitting and Hydricity: Ramifications on CO<sub>2</sub> Hydrogenation by a Rhenium Pincer Catalyst. Journal of the American Chemical Society, 2021, 143, 945-954
4135499	CIF	C24 H39 O4 P2 Re	P -1	8.1984; 13.376; 24.3513 79.938; 86.858; 84.443	2615	Hu, Jenny; Bruch, Quinton J.; Miller, Alexander J. M. Temperature and Solvent Effects on H<sub>2</sub> Splitting and Hydricity: Ramifications on CO<sub>2</sub> Hydrogenation by a Rhenium Pincer Catalyst. Journal of the American Chemical Society, 2021, 143, 945-954
4135500	CIF	C50 H42 I N3 Ni O2	P 1 21 1	8.8548; 27.5888; 9.0559 90; 115.112; 90	2003.2	Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A. Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands. Journal of the American Chemical Society, 2021, 143, 817-829
4135501	CIF	C54.5 H48.5 N3.5 Ni O2.5	P 21 21 21	10.06432; 13.6461; 35.016 90; 90; 90	4809.05	Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A. Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands. Journal of the American Chemical Society, 2021, 143, 817-829
4135502	CIF	C71 H81 N6 Ni O2	P 1 21 1	15.9739; 10.4011; 18.7687 90; 111.217; 90	2907	Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A. Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands. Journal of the American Chemical Society, 2021, 143, 817-829
4135503	CIF	C55 H52 N3 Ni O2	P 21 21 21	9.6441; 28.862; 42.241 90; 90; 90	11757.7	Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A. Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands. Journal of the American Chemical Society, 2021, 143, 817-829
4135504	CIF	C28 H20 Bi F6 N3 O6 S4	P 1 21/c 1	12.9686; 17.018; 14.8907 90; 99.641; 90	3240	Ma, Wenqiang; Xu, Letian; Zhang, Sikun; Li, Guoping; Ma, Tianyu; Rao, Bin; Zhang, Mingming; He, Gang Phosphorescent Bismoviologens for Electrophosphorochromism and Visible Light-Induced Cross-Dehydrogenative Coupling. Journal of the American Chemical Society, 2021, 143, 1590-1597
4135505	CIF	C40 H42 Bi2 F12 N4 O16 S4	P 1 21/n 1	17.628; 15.7; 19.843 90; 97.887; 90	5440	Ma, Wenqiang; Xu, Letian; Zhang, Sikun; Li, Guoping; Ma, Tianyu; Rao, Bin; Zhang, Mingming; He, Gang Phosphorescent Bismoviologens for Electrophosphorochromism and Visible Light-Induced Cross-Dehydrogenative Coupling. Journal of the American Chemical Society, 2021, 143, 1590-1597
4135506	CIF	C32 H24 Bi F6 N3 O6 S2	P 1 21/c 1	13.658; 17.056; 14.691 90; 98.946; 90	3381	Ma, Wenqiang; Xu, Letian; Zhang, Sikun; Li, Guoping; Ma, Tianyu; Rao, Bin; Zhang, Mingming; He, Gang Phosphorescent Bismoviologens for Electrophosphorochromism and Visible Light-Induced Cross-Dehydrogenative Coupling. Journal of the American Chemical Society, 2021, 143, 1590-1597
4135507	CIF	C72 H48 N12 O50 Pb4 Zr9	R 3 2 :H	18.2062; 18.2062; 50.559 90; 90; 120	14513.4	Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters. Journal of the American Chemical Society, 2021, 143, 657-663
4135508	CIF	C72 H112 Mo4 N12 O36 Zr6	P -1	9.8779; 12.4026; 19.6503 88.951; 78.258; 87.952	2355.36	Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters. Journal of the American Chemical Society, 2021, 143, 657-663
4135509	CIF	C36 H24 I7 N6 O47 Pb2 Zr9	P 3 1 c	18.3642; 18.3642; 33.9939 90; 90; 120	9928.3	Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters. Journal of the American Chemical Society, 2021, 143, 657-663
4135510	CIF	C44 H57 Cl Co N8 O20 Zr3	P 1 21/n 1	15.71033; 19.70013; 19.76725 90; 103.716; 90	5943.4	Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters. Journal of the American Chemical Society, 2021, 143, 657-663
4135511	CIF	C66 H54 Br12 N6 O20 Pd5 Zr6	P -1	15.1229; 20.0995; 25.5356 76.234; 79.884; 68.246	6969	Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters. Journal of the American Chemical Society, 2021, 143, 657-663
4135512	CIF	C5 H16 Br4 N Pb	P m m a	11.9047; 6.0106; 9.713 90; 90; 90	695.01	Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric. Journal of the American Chemical Society, 2021, 143, 1664-1672
4135513	CIF	C5 H16 Br4 N P Pb	P 1 21 1	6.0177; 12.0789; 9.9796 90; 90.145; 90	725.39	Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric. Journal of the American Chemical Society, 2021, 143, 1664-1672
4135514	CIF	C5 H16 Br4 N P Pb	P 1 21 1	6.0691; 12.1645; 10.0438 90; 90.154; 90	741.51	Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric. Journal of the American Chemical Society, 2021, 143, 1664-1672
4135515	CIF	C79 H88 B4 Co2 F12 N24 P2	P -1	9.8868; 11.3094; 19.5352 91.166; 94.315; 90.523	2177.54	Kaufhold, Simon; Rosemann, Nils W.; Chábera, Pavel; Lindh, Linnea; Bolaño Losada, Iria; Uhlig, Jens; Pascher, Torbjörn; Strand, Daniel; Wärnmark, Kenneth; Yartsev, Arkady; Persson, Petter Microsecond Photoluminescence and Photoreactivity of a Metal-Centered Excited State in a Hexacarbene-Co(III) Complex. Journal of the American Chemical Society, 2021, 143, 1307-1312
4135516	CIF	C27.5 H20.5 B F9 N	P -1	11.7841; 14.7106; 15.8655 110.309; 97.196; 100.853	2478.35	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135517	CIF	C41 H32 B F9 N2	P 1 21/n 1	9.3001; 27.1592; 14.5554 90; 99.578; 90	3625.2	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135518	CIF	C31 H28 B F9 N2	P -1	8.6995; 12.2055; 15.8773 95.526; 90.646; 96.315	1667.45	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135519	CIF	C33 H32 B F9 N2	P 1 21/c 1	11.2377; 11.1974; 24.4577 90; 90.739; 90	3077.33	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135520	CIF	C40 H44 B F9 N2	P -1	8.6311; 14.6478; 15.7274 109.702; 92.143; 92.957	1866.3	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135521	CIF	C30 H26 B F9 N2	P 1 21/c 1	13.7751; 11.5702; 17.4052 90; 97.609; 90	2749.63	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135522	CIF	C29 H30 B F9 N2 O2	P -1	10.4043; 11.6812; 13.5156 92.081; 94.373; 113.272	1500.61	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135523	CIF	C35 H28 B F9 N2	P -1	8.6969; 11.9109; 17.6858 92.728; 95.676; 97.742	1802.98	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135524	CIF	C36 H30 B F9 N2 O	P c a 21	22.8203; 8.8132; 31.8125 90; 90; 90	6398.1	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135525	CIF	C38 H34 B Br F9 N2	P -1	8.7867; 12.7686; 16.8144 102.723; 103.383; 91.86	1783.25	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135526	CIF	C34 H25 B F9 N	P 1 21/n 1	17.0933; 9.8292; 17.4543 90; 95.43; 90	2919.4	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135527	CIF	C34 H25 B F9 N	R -3 :H	34.991; 34.991; 12.8827 90; 90; 120	13660	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135528	CIF	C25 H20 B F9 S	P 1 21/n 1	28.1571; 9.619; 28.4643 90; 104.279; 90	7471.2	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135529	CIF	C47 H56 B F9 N P	P 1 21/c 1	12.9016; 12.5211; 27.465 90; 102.563; 90	4330.5	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135530	CIF	C32 H21 B Br2 F9 N	P -1	10.0146; 11.7824; 14.7823 66.606; 81.108; 68.68	1491.21	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135531	CIF	C22 H19 B F9 N	P 1 21/c 1	8.7614; 29.9845; 8.298 90; 97.13; 90	2163.08	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135532	CIF	C24 H23 B F9 N	C 1 2/c 1	23.0146; 14.3686; 16.876 90; 104.441; 90	5404.4	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135533	CIF	C26 H23 B F9 N	P -1	12.5513; 19.8452; 21.0373 109.234; 94.57; 93.812	4907.8	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135534	CIF	C31 H21 B F9 N	P 1 21/c 1	8.0098; 15.6527; 21.2837 90; 96.428; 90	2651.67	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135535	CIF	C47 H56 B F9 N P	P 1 21/c 1	13.2994; 12.6152; 26.6795 90; 101.241; 90	4390.3	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135536	CIF	C40 H34 B F9 Ir N	P -1	8.6983; 10.421; 19.0291 77; 76.946; 82.311	1630.98	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135537	CIF	C39 H30 B F9 N Rh	P 1 21/n 1	25.8026; 10.3993; 26.3164 90; 110.6; 90	6609.9	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application Journal of the American Chemical Society, 2021
4135538	CIF	C428 H462 B F4 N96 O2 Pd12	R -3 c :H	39.4711; 39.4711; 66.5589 90; 90; 120	89803.9	Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages. Journal of the American Chemical Society, 2021
4135539	CIF	C204 H216 B0 F0 N48 O0 Pd6	P -1	16.0016; 19.225; 65.934 93.64; 94.207; 113.095	18513	Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages. Journal of the American Chemical Society, 2021
4135540	CIF	C284 H330 N54 O88 Pd6	P -3 1 c	28.7906; 28.7906; 41.6357 90; 90; 120	29888.1	Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages. Journal of the American Chemical Society, 2021
4135541	CIF	C408 H432 B F4 N96 O0 Pd12	R -3 c :H	39.5433; 39.5433; 65.854 90; 90; 120	89178	Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages. Journal of the American Chemical Society, 2021
4135542	CIF	C53 H68 N2 O3 Ru	P -1	11.506; 12.614; 17.118 75.681; 71.28; 88.66	2276	Xu, Yan; Wong, Jonathan J.; Samkian, Adrian E.; Ko, Jeong Hoon; Chen, Shuming; Houk, K. N.; Grubbs, Robert H. Efficient Z-Selective Olefin-Acrylamide Cross-Metathesis Enabled by Sterically Demanding Cyclometalated Ruthenium Catalysts Journal of the American Chemical Society, 2020, 142, 20987-20993
4135543	CIF	C132 H66 Eu9 N0 O47	P -3 m 1	21.9714; 21.9714; 17.1198 90; 90; 120	7157.2	Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes Journal of the American Chemical Society, 2021
4135544	CIF	C132 H89 Eu6 N0 O34	P 4/m n c	20.6567; 20.6567; 42.465 90; 90; 90	18119.8	Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes Journal of the American Chemical Society, 2021
4135545	CIF	C92 H68 Eu6 O34	P 4/m n c	19.4615; 19.4615; 33.5718 90; 90; 90	12715.3	Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes Journal of the American Chemical Society, 2021
4135546	CIF	C168 H84 N3 O47 Y9	P 6/m m m	25.8315; 25.8315; 18.5628 90; 90; 120	10726.9	Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes Journal of the American Chemical Society, 2021
4135547	CIF	C82 H36 N2 O32 Yb6	I m m m	20.6796; 32.49; 34.067 90; 90; 90	22888.9	Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes Journal of the American Chemical Society, 2021
4135548	CIF	C72 H36 Eu6 N0 O36	C m c m	33.2301; 16.6318; 25.9567 90; 90; 90	14345.7	Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes Journal of the American Chemical Society, 2021
4135549	CIF	C84 H42 Eu6 N2 O35	C 1 2/c 1	21.2622; 34.585; 25.8759 90; 92.438; 90	19010.7	Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes Journal of the American Chemical Society, 2021
4135550	CIF	C83.5 H47.5 Eu6 F N3.5 O34.75	P -1	18.8477; 19.186; 25.9293 77.192; 82.391; 61.252	8012.5	Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes Journal of the American Chemical Society, 2021
4135551	CIF	C17 H15 Br O	P 21 21 21	5.8732; 7.3387; 32.129 90; 90; 90	1384.81	Nam, Donggeon; Steck, Viktoria; Potenzino, Robert J.; Fasan, Rudi A Diverse Library of Chiral Cyclopropane Scaffolds via Chemoenzymatic Assembly and Diversification of Cyclopropyl Ketones. Journal of the American Chemical Society, 2021
4135552	CIF	C18 H17 Br O	P 1 21 1	7.3854; 5.8539; 17.0708 90; 93.674; 90	736.512	Nam, Donggeon; Steck, Viktoria; Potenzino, Robert J.; Fasan, Rudi A Diverse Library of Chiral Cyclopropane Scaffolds via Chemoenzymatic Assembly and Diversification of Cyclopropyl Ketones. Journal of the American Chemical Society, 2021
4135553	CIF	C16 H19 N O3	P 21 21 21	7.1245; 10.7356; 19.3304 90; 90; 90	1478.5	Zheng, Yin; Qin, Tianzhu; Zi, Weiwei Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand. Journal of the American Chemical Society, 2021, 143, 1038-1045
4135554	CIF	C14 H15 N O3	P 21 21 21	6.9529; 11.3947; 15.9363 90; 90; 90	1262.57	Zheng, Yin; Qin, Tianzhu; Zi, Weiwei Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand. Journal of the American Chemical Society, 2021, 143, 1038-1045
4135555	CIF	C13 H13 N O3	P 21 21 21	6.43106; 6.6975; 28.04143 90; 90; 90	1207.8	Zheng, Yin; Qin, Tianzhu; Zi, Weiwei Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand. Journal of the American Chemical Society, 2021, 143, 1038-1045
4135556	CIF	C19 H16 F N O3	P 1 21 1	10.38073; 6.43018; 12.80016 90; 105.967; 90	821.448	Zheng, Yin; Qin, Tianzhu; Zi, Weiwei Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand. Journal of the American Chemical Society, 2021, 143, 1038-1045
4135557	CIF	C52 H76 O20	P -1	13.0619; 17.9017; 22.873 103.46; 101.469; 91.663	5081.7	Shao, Li; Zhang, Hanwen; He, Xiaoqing; Hua, Bin; Hu, Xiangquan; Wan, Caixia; Kelley, Steven P.; Atwood, Jerry L. Molecular Entrapment of Polymers by Pyrogallol[4]arenes. Journal of the American Chemical Society, 2021, 143, 693-698
4135558	CIF	C90 H122 N O31.5	P 1 21/n 1	11.6204; 23.4636; 35.458 90; 96.637; 90	9603.1	Shao, Li; Zhang, Hanwen; He, Xiaoqing; Hua, Bin; Hu, Xiangquan; Wan, Caixia; Kelley, Steven P.; Atwood, Jerry L. Molecular Entrapment of Polymers by Pyrogallol[4]arenes. Journal of the American Chemical Society, 2021, 143, 693-698
4135559	CIF	C44 H61 O16.5	C 1 2/c 1	45.4178; 9.3163; 23.3301 90; 119.415; 90	8599	Shao, Li; Zhang, Hanwen; He, Xiaoqing; Hua, Bin; Hu, Xiangquan; Wan, Caixia; Kelley, Steven P.; Atwood, Jerry L. Molecular Entrapment of Polymers by Pyrogallol[4]arenes. Journal of the American Chemical Society, 2021, 143, 693-698
4135560	CIF	C21 H30 B N O2	P 21 21 21	8.0048; 9.3168; 25.9145 90; 90; 90	1932.68	Zhang, Pinglu; Tsuji, Nobuya; Ouyang, Jie; List, Benjamin Strong and Confined Acids Catalyze Asymmetric Intramolecular Hydroarylations of Unactivated Olefins with Indoles. Journal of the American Chemical Society, 2021, 143, 675-680
4135561	CIF	C110 H61 Cl4 F14 N3 O8 P2 S2	P 21 21 21	14.3036; 23.2545; 28.5467 90; 90; 90	9495.3	Zhang, Pinglu; Tsuji, Nobuya; Ouyang, Jie; List, Benjamin Strong and Confined Acids Catalyze Asymmetric Intramolecular Hydroarylations of Unactivated Olefins with Indoles. Journal of the American Chemical Society, 2021, 143, 675-680
4135562	CIF	C44.83 H29.67 Cl2.67 N3 Ni O	P 1 21/n 1	12.0656; 21.6889; 14.4031 90; 102.949; 90	3673.3	Kim, Haesol; Shin, Dongyup; Yang, Woojin; Won, Da Hye; Oh, Hyung-Suk; Chung, Min Wook; Jeong, Donghyuk; Kim, Sun Hee; Chae, Keun Hwa; Ryu, Ji Yeon; Lee, Junseong; Cho, Sung June; Seo, Jiwon; Kim, Hyungjun; Choi, Chang Hyuck Identification of Single-Atom Ni Site Active toward Electrochemical CO<sub>2</sub> Conversion to CO. Journal of the American Chemical Society, 2021, 143, 925-933
4135563	CIF	C25 H24 Br N5 O5	P 21 21 21	8.1694; 16.0398; 17.6507 90; 90; 90	2312.87	Chen, Xiangyang; Thøgersen, Mathias Kirk; Yang, Limin; Lauridsen, Rune F.; Xue, Xiao-Song; Jørgensen, Karl Anker; Houk, K. N. [8+2] vs [4+2] Cycloadditions of Cyclohexadienamines to Tropone and Heptafulvenes-Mechanisms and Selectivities. Journal of the American Chemical Society, 2021, 143, 934-944
4135564	CIF	C30 H30 F12 N2 O3 W	P 1 21/c 1	17.0162; 9.7018; 19.8137 90; 104.895; 90	3161.1	Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S. Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates. Journal of the American Chemical Society, 2021, 143, 1235-1246
4135565	CIF	C44.5 H63 N O4.5 W	P 1 21/c 1	11.5516; 16.6083; 20.2825 90; 95.7816; 90	3871.5	Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S. Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates. Journal of the American Chemical Society, 2021, 143, 1235-1246
4135566	CIF	C45 H58 N O4 W	P 1 21/n 1	10.3427; 33.5187; 11.3695 90; 96.9729; 90	3912.4	Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S. Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates. Journal of the American Chemical Society, 2021, 143, 1235-1246
4135567	CIF	C40 H53 N O4 W	P 1 21/c 1	11.4548; 16.0612; 19.5973 90; 94.0853; 90	3596.3	Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S. Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates. Journal of the American Chemical Society, 2021, 143, 1235-1246
4135568	CIF	C138.5 H173 N3 O14.5 W3	P -1	10.1087; 23.8033; 28.0735 110.006; 93.785; 97.439	6249.7	Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S. Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates. Journal of the American Chemical Society, 2021, 143, 1235-1246
4135569	CIF	C34 H60 N2 O6.5	I -4	19.4096; 19.4096; 19.5602 90; 90; 90	7369	Xu, Maotong; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W. Lithium Dicyclohexylamide in Transition-Metal-Free Fischer-Tropsch Chemistry. Journal of the American Chemical Society, 2021, 143, 634-638
4135570	CIF	C30 H20 N2 O2	P -1	7.918; 9.651; 17.999 80.371; 87.27; 67.96	1256.8	Xu, Maotong; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W. Lithium Dicyclohexylamide in Transition-Metal-Free Fischer-Tropsch Chemistry. Journal of the American Chemical Society, 2021, 143, 634-638
4135571	CIF	C26 H46 N2 O2	P -1	10.3158; 10.9502; 13.2446 112.478; 91.182; 115.343	1218.6	Xu, Maotong; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W. Lithium Dicyclohexylamide in Transition-Metal-Free Fischer-Tropsch Chemistry. Journal of the American Chemical Society, 2021, 143, 634-638
4135572	CIF	C276 H224 F60 Ir2 N32 O4 P10 Zn4	P 1	23.3169; 27.5437; 27.5621 104.102; 106.303; 107.895	15076.1	August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J A Chiral Cyclometalated Iridium Star of David [2]Catenane. Journal of the American Chemical Society, 2021, 143, 1154-1161
4135573	CIF	C276 H224 F60 Ir2 N32 O4 P10 Zn4	P 1	23.1012; 27.4445; 27.498 104.285; 106.658; 107.91	14781.4	August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J A Chiral Cyclometalated Iridium Star of David [2]Catenane. Journal of the American Chemical Society, 2021, 143, 1154-1161
4135574	CIF	C13 H13 Br O S	P b c a	9.4303; 15.891; 16.744 90; 90; 90	2509.2	Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223
4135575	CIF	C15 H15 Cl O S	P 1 21/c 1	10.25; 15.3411; 8.6672 90; 90.251; 90	1362.87	Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223
4135576	CIF	C12 H18 O2 S	P -1	9.1402; 15.4595; 19.9824 108.465; 102.614; 98.584	2539.8	Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223
4135577	CIF	C25 H22 O3 S2	P -1	10.0613; 10.9059; 20.821 93.349; 90.495; 109.075	2154.6	Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223
4135578	CIF	C26 H24 O2 S2	P 1 21/c 1	7.83; 15.4081; 17.9103 90; 92.518; 90	2158.71	Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223
4135579	CIF	C17 H19 N O4 S	P c a 21	9.2612; 19.9966; 9.1061 90; 90; 90	1686.38	Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223
4135580	CIF	C12 H24 I2 O6 Zn	P n m a	16.072; 28.0305; 8.296 90; 90; 90	3737.4	Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804
4135581	CIF	C12 H24 I2 O6 Sr	C 1 2/m 1	12.996; 10.864; 8.0507 90; 119.99; 90	984.5	Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804
4135582	CIF	C24 H48 Cl6 Mn3 O12	P 1 21/c 1	16.67; 10.642; 25.798 90; 124.63; 90	3765.8	Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804
4135583	CIF	C12 H24 I2 Mn O6	C 1 2/c 1	10.871; 12.01; 28.514 90; 94.37; 90	3712	Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804
4135584	CIF	C12 H24 Br2 O6 Zn	R 3 :H	11.5448; 11.5448; 11.934 90; 90; 120	1377.5	Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804
4135585	CIF	C12 H24 Eu I2 O6	C 1 2/m 1	12.962; 10.883; 8.0284 90; 120.34; 90	977.4	Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804
4135586	CIF	C12 H24 Br2 Eu O6	R 3 :H	11.9296; 11.9296; 11.925 90; 90; 120	1469.7	Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804
4135587	CIF	C24 H48 I6 Mn3 O12	P 1 21/n 1	17.102; 11.252; 22.748 90; 91.87; 90	4375.1	Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804
4135588	CIF	C12 H24 I4 Mn2 O6	P 21 21 21	11.489; 13.075; 16.437 90; 90; 90	2469.1	Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804
4135589	CIF	C68 H112 O16 Si4	P 21 21 21	6.0541; 14.1336; 21.0131 90; 90; 90	1798.01	Tomanik, Martin; Xu, Zhi; Herzon, Seth B. Enantioselective Synthesis of Euonyminol. Journal of the American Chemical Society, 2021, 143, 699-704
4135590	CIF	C23 H33 O10 Si	P 21 21 21	10.13664; 12.97562; 19.3014 90; 90; 90	2538.7	Tomanik, Martin; Xu, Zhi; Herzon, Seth B. Enantioselective Synthesis of Euonyminol. Journal of the American Chemical Society, 2021, 143, 699-704
4135591	CIF	C23 H33 O8 Si	P 1 21 1	9.1922; 11.2207; 11.7369 90; 100.28; 90	1191.15	Tomanik, Martin; Xu, Zhi; Herzon, Seth B. Enantioselective Synthesis of Euonyminol. Journal of the American Chemical Society, 2021, 143, 699-704
4135592	CIF	C28 H48 O11 Si	P 1 21 1	10.7097; 9.3455; 14.909 90; 90.187; 90	1492.2	Tomanik, Martin; Xu, Zhi; Herzon, Seth B. Enantioselective Synthesis of Euonyminol. Journal of the American Chemical Society, 2021, 143, 699-704
4135593	CIF	C30 H50 O11 Si	P 21 21 21	11.95; 16.7458; 31.7086 90; 90; 90	6345.28	Tomanik, Martin; Xu, Zhi; Herzon, Seth B. Enantioselective Synthesis of Euonyminol. Journal of the American Chemical Society, 2021, 143, 699-704
4135594	CIF	C45 H51 F6 Fe N10 P	P 21 21 21	12.902; 18.4951; 19.1223 90; 90; 90	4563	Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex. Journal of the American Chemical Society, 2021, 143, 1458-1465
4135595	CIF	C44.56 H50.56 F6 Fe N8 P	C 1 2/c 1	46.429; 16.3087; 23.2775 90; 93.67; 90	17589.5	Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex. Journal of the American Chemical Society, 2021, 143, 1458-1465
4135596	CIF	C39 H45 F12 Fe N8 P2	P 1 21/c 1	17.0881; 16.569; 15.2548 90; 94.725; 90	4304.5	Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex. Journal of the American Chemical Society, 2021, 143, 1458-1465
4135597	CIF	C167 H184.5 B4 F4 Fe2 N19.5 O	P 1 21/c 1	17.57; 18.196; 47.439 90; 98.598; 90	14996	Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex. Journal of the American Chemical Society, 2021, 143, 1458-1465
4135598	CIF	C40 H36 O4 Si	P -1	8.035; 19.954; 20.955 107.477; 90.378; 98.013	3169	Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne. Journal of the American Chemical Society, 2021, 143, 1641-1650
4135599	CIF	C27 H26 Si	P 1 21/a 1	10.5521; 24.7884; 16.8422 90; 107.729; 90	4196.2	Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne. Journal of the American Chemical Society, 2021, 143, 1641-1650
4135600	CIF	C30 H26 Si	P -1	10.3171; 12.986; 17.529 75.678; 85.033; 86.4309	2264.9	Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne. Journal of the American Chemical Society, 2021, 143, 1641-1650
4135601	CIF	C H6 N4 O4	P b c a	9.5532; 6.3625; 16.3333 90; 90; 90	992.77	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4135602	CIF	C H2 N5 Na O4	P 1 21/c 1	11.9484; 3.6295; 14.0899 90; 105.13; 90	589.85	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4135603	CIF	C K N5 O3	P 1 21/n 1	6.8957; 11.5328; 7.0382 90; 97.155; 90	555.37	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4135604	CIF	C2 H6 N8 O3	P 1 21/c 1	7.4975; 15.4884; 6.6145 90; 94.328; 90	765.91	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4135605	CIF	C H4 N6 O3	P -1	6.6353; 6.8575; 7.0924 67.848; 72.382; 80.022	284.24	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4135606	CIF	C H4 N6 O4	F d d 2	14.498; 44.396; 3.6494 90; 90; 90	2348.9	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4135607	CIF	C H N5 O3	P 1 21/c 1	6.1997; 10.2689; 8.2547 90; 109.477; 90	495.45	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4135608	CIF	C2 H4 N2 O4	P -1	7.6411; 7.7969; 8.3332 99.142; 90.045; 103.622	475.99	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4135609	CIF	C51 H82 Bi F9 Li2 N2 O11 S3	P 1 21/n 1	24.689; 9.342; 27.653 90; 98.07; 90	6314.9	Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Nazish, Mohd; Morganti, Massimiliano; Köhler, Christian; Cai, Jiali; Zhao, Lili; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Roesky, Herbert W. Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones. Journal of the American Chemical Society, 2021, 143, 1301-1306
4135610	CIF	C44.5 H66 F3 N2 O3 S Sb	P 1 21/n 1	9.189; 15.33; 32.284 90; 92.02; 90	4544.9	Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Nazish, Mohd; Morganti, Massimiliano; Köhler, Christian; Cai, Jiali; Zhao, Lili; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Roesky, Herbert W. Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones. Journal of the American Chemical Society, 2021, 143, 1301-1306
4135611	CIF	C36 H56 Cl3 Cr N2 O	C 1 2/c 1	29.89; 18.583; 18.248 90; 94.665; 90	10102	Zhao, Lixing; Hu, Chenyang; Cong, Xuefeng; Deng, Gongda; Liu, Liu Leo; Luo, Meiming; Zeng, Xiaoming Cyclic (Alkyl)(amino)carbene Ligand-Promoted Nitro Deoxygenative Hydroboration with Chromium Catalysis: Scope, Mechanism, and Applications. Journal of the American Chemical Society, 2021, 143, 1618-1629
4135612	CIF	C38 H52 Ir2 N4 O14 S2	P -1	10.162; 10.528; 10.914 64.682; 89.99; 89.904	1055.5	Kanega, Ryoichi; Onishi, Naoya; Tanaka, Shinji; Kishimoto, Haruo; Himeda, Yuichiro Catalytic Hydrogenation of CO<sub>2</sub> to Methanol Using Multinuclear Iridium Complexes in a Gas-Solid Phase Reaction. Journal of the American Chemical Society, 2021, 143, 1570-1576
4135613	CIF	C24 H40 O20 P3 Y	P n a 21	9.835; 16.634; 23.5 90; 90; 90	3844	Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework. Journal of the American Chemical Society, 2021, 143, 1365-1376
4135614	CIF	C27 H33 O12 P3	C 1 c 1	16.1261; 24.9525; 7.565 90; 104.358; 90	2949	Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework. Journal of the American Chemical Society, 2021, 143, 1365-1376
4135615	CIF	C36 H47 O10 P3	P 1 21/c 1	11.2203; 14.5145; 23.22 90; 96.497; 90	3757.3	Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework. Journal of the American Chemical Society, 2021, 143, 1365-1376
4135616	CIF	C176 H172 O48	P -1	12.182; 17.093; 21.861 68.21; 89.91; 73.2	4017.69	Mi, Yan; Ma, Jingyu; Liang, Wenting; Xiao, Chao; Wu, Wanhua; Zhou, Dayang; Yao, Jiabin; Sun, Wenjia; Sun, Junliang; Gao, Guowei; Chen, Xiaochuan; Chruma, Jason J.; Yang, Cheng Guest-Binding-Induced Interhetero Hosts Charge Transfer Crystallization: Selective Coloration of Commonly Used Organic Solvents. Journal of the American Chemical Society, 2021, 143, 1553-1561
4135617	CIF	C91 H0.5 O29	P -1	12.0109; 16.9861; 21.9656 83.59; 75.478; 70.196	4079.88	Mi, Yan; Ma, Jingyu; Liang, Wenting; Xiao, Chao; Wu, Wanhua; Zhou, Dayang; Yao, Jiabin; Sun, Wenjia; Sun, Junliang; Gao, Guowei; Chen, Xiaochuan; Chruma, Jason J.; Yang, Cheng Guest-Binding-Induced Interhetero Hosts Charge Transfer Crystallization: Selective Coloration of Commonly Used Organic Solvents. Journal of the American Chemical Society, 2021, 143, 1553-1561
4135618	CIF	C34 H36 N2 O6 S2 Si	P -1	6.8633; 11.6049; 24.2941 103.462; 90.236; 104.924	1814.1	Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors. Journal of the American Chemical Society, 2021, 143, 1334-1340
4135619	CIF	C25 H29 N O4 S Si	P 1 21/n 1	12.3097; 14.4416; 13.6087 90; 101.087; 90	2374.09	Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors. Journal of the American Chemical Society, 2021, 143, 1334-1340
4135620	CIF	C126 H102 N6 O15 S3	P 1 21/c 1	10.7433; 45.1666; 21.5283 90; 101.322; 90	10243.1	Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors. Journal of the American Chemical Society, 2021, 143, 1334-1340
4135621	CIF	C29 H22 N4 O2 S	P 1 21/c 1	20.0963; 14.6995; 8.0035 90; 94.679; 90	2356.4	Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L. Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties. Journal of the American Chemical Society, 2021, 143, 1278-1283
4135622	CIF	C20 H15 N3 O2	P -1	8.071; 9.968; 10.206 101.062; 97.362; 100.442	781.1	Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L. Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties. Journal of the American Chemical Society, 2021, 143, 1278-1283
4135623	CIF	C27 H18 N4 O2 S	P c a 21	31.4363; 8.9581; 7.7402 90; 90; 90	2179.71	Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L. Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties. Journal of the American Chemical Society, 2021, 143, 1278-1283
4135624	CIF	C22 H19 N3 O2	P b c a	8.438; 16.7089; 25.36 90; 90; 90	3575.5	Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L. Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties. Journal of the American Chemical Society, 2021, 143, 1278-1283
4135625	CIF	C8 H4 D1.46 N0.49 O5 V	I 41 2 2	15.135; 15.135; 12.033 90; 90; 90	2756.4	Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161
4135626	CIF	C8 H3 O5 V	I 41 2 2	15.0246; 15.0246; 11.9519 90; 90; 90	2698	Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161
4135627	CIF	C8 H4 O5 V	I 41 2 2	15.1215; 15.1215; 12.0683 90; 90; 90	2759.5	Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161
4135628	CIF	C8 H4 In O5	I 41 2 2	15.5056; 15.5056; 12.339 90; 90; 90	2966.59	Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161
4135629	CIF	C8 H3 D5.04 Fe N2.23 O5	I 41 2 2	15.102; 15.102; 11.9998 90; 90; 90	2736.8	Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161
4135630	CIF	C8 H3.3 D0.88 In N0.33 O5	I 41 2 2	15.4911; 15.4911; 12.3275 90; 90; 90	2958.3	Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161
4135631	CIF	C8 H3 D6.65 N2.22 O5 V	I 41 2 2	15.09; 15.09; 12.01 90; 90; 90	2735	Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161
4135632	CIF	C6 H3 Cu N4	P n n a	10.9436; 8.6154; 10.0156 90; 90; 90	944.31	Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification. Journal of the American Chemical Society, 2021, 143, 8654-8660
4135633	CIF	C2.75 H0.5 Br0.5 Cu0.5 N2	P n n a	10.9748; 8.5812; 10.0596 90; 90; 90	947.38	Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification. Journal of the American Chemical Society, 2021, 143, 8654-8660
4135634	CIF	C3 H1.5 Br0.5 Cu0.5 N2	P n n a	10.9745; 8.6056; 10.0876 90; 90; 90	952.7	Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification. Journal of the American Chemical Society, 2021, 143, 8654-8660
4135635	CIF	C2.5 Br0.5 Cu0.5 N2	P n n a	11.0306; 8.6572; 10.0114 90; 90; 90	956	Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification. Journal of the American Chemical Society, 2021, 143, 8654-8660
4135636	CIF HKL	C103 H20 O2 S6	C 1 2/m 1	18.6097; 19.5333; 16.7214 90; 96.1449; 90	6043.5	Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572
4135637	CIF HKL	C110 H60 Cl10 O4	C 1 c 1	30.4743; 10.2536; 27.1459 90; 104.991; 90	8193.6	Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572
4135638	CIF	C84 H44 Cl12 O4	P -1	13.7614; 14.9731; 17.3086 78.771; 78.615; 75.028	3338.5	Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572
4135639	CIF	C148 H80 Cl12 O4	C 1 2/m 1	19.5697; 17.9147; 38.807 90; 104.474; 90	13173.4	Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572
4135640	CIF HKL	C121 H65 Cl27 O4	P 1 21/c 1	18.667; 19.234; 16.2905 90; 108.354; 90	5551.4	Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572
4135641	CIF HKL	C150 H84 Cl18 O4	C 1 2/c 1	43.4297; 13.7993; 20.6059 90; 102.772; 90	12043.6	Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572
4135642	CIF	C84 H64 O4	P -1	10.4352; 17.672; 19.298 68.679; 86.263; 82.937	3289.2	Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572
4135643	CIF	Cu26 S32 Sn6 V2	P -4 3 n	10.8289; 10.8289; 10.8289 90; 90; 90	1269.85	Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E. 'High-performance thermoelectric bulk colusite by process controlled structural disordering' Journal of the American Chemical Society, 2018, 140, 2186-2195
4135644	CIF	Cu26 S32 Sn6 V2	P -4 3 n	10.77006; 10.77006; 10.77006 90; 90; 90	1249.26	Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E. 'High-performance thermoelectric bulk colusite by process controlled structural disordering' Journal of the American Chemical Society, 2018, 140, 2186-2195
5000016	CIF	C4 H9 N O3	P 21 21 21	13.611; 7.738; 5.142 90; 90; 90	541.57	Shoemaker, David P.; Donohue, Jerry; Schomaker, Verner; Corey, Robert B. The Crystal Structure of L~s~-Threonine Journal of the American Chemical Society, 1950, 72, 2328-2349
5000048	CIF	C37 H42 Mg N4 O7	P 31	8.859; 8.859; 38.119 90; 90; 120	2590.85	Chow, H.-C.; Serlin, R.; Strouse, C. E. Crystal and Molecular Structure and Absolute Configuration of Ethyl Chlorophyllide a Dihydrate. Model for the Different Spectral Forms of Chlorophyll a Journal of the American Chemical Society, 1975, 97, 7230-7237
5000054	CIF	C14 H19 N2 O5.5	P 41	17.685; 17.685; 4.919 90; 90; 90	1538.46	Hatada, M.; Jancarik, J.; Graves, B.; Kim, Sung-Hou Crystal structure of aspartame, a peptide sweetener Journal of the American Chemical Society, 1985, 107, 4279-4282
5000126	CIF	C16 H13 Cl N2 O	P 1 21/a 1	12.9284; 13.3537; 7.9763 90; 90.01; 90	1377.04	Camerman, Arthur; Camerman, Norman Stereochemical basis of anticonvulsant drug action. II. Molecular structure of diazepam Journal of the American Chemical Society, 1972, 94, 268-272
5000139	CIF	C22 H24 N2 O9	P 21 21 21	8.836; 12.416; 18.76 90; 90; 90	2058.12	Prewo, R.; Stezowski, J. J. Chemical-structural properties of tetracycline derivatives. 3. The integrity of the conformation of the nonionized free base Journal of the American Chemical Society, 1977, 99, 1117-1121
5000164	CIF	C4 H8 O2	P 1 21/n 1	5.715; 6.458; 6.131 90; 99.89; 90	222.92	Koritsanszky, T.; Strumpel, M. K.; Buschmann, J.; Luger, P.; Hansen, N. K.; Pichon-Pesme, V. A study of the anomeric effect on an electronic scale: the electron density of 1,4-dioxane and trans-2,5-dichloro-1,4-dioxane Journal of the American Chemical Society, 1991, 113, 9148-9154
5000187	CIF	C9 H8 O2	P 1 21/n 1	7.7163; 17.6101; 5.5655 90; 96.396; 90	751.56	Enkelmann, Volker; Wegner, Gerhard; Novak, Kathleen; Wagener, Kenneth B. Single-crystal-to-single-crystal photodimerization of cinnamic acid Journal of the American Chemical Society, 1993, 115, 10390-10391
5000194	CIF	C4 H6 O2	P 1 21/n 1	7.514; 5.249; 6.552 90; 116.1; 90	232.07	Eriks, K.; Hayden, T. D.; Yang, S. Hsi; Chan, I. Y. Crystal and molecular structure of biacetyl (2,3-butanedione), (H~3~CCO)~2~, at -12 and -100 °C Journal of the American Chemical Society, 1983, 105, 3940-3942
5000235	CIF	C50 H70 O14	P 1 21 1	12.559; 14.263; 13.739 90; 106.13; 90	2364.17	Nicolaou, K. C.; Rutjes, F. P. J. T.; Theodorakis, E. A.; Tiebes, J.; Sato, M.; Untersteller, E. Total Synthesis of Brevetoxin B. 3. Final Strategy and Completion Journal of the American Chemical Society, 1995, 117, 10252-10263
5000240	CIF	C50 H81 N4 O15 P	P 21 21 21	18.173; 20.138; 15.574 90; 90; 90	5699.58	Kato, Yuko; Fusetani, Nobuhiro; Matsunaga, Shigeki; Hashimoto, Kanehisa; Fujita, Shigeo; Furuya, Toshio Bioactive marine metabolites. Part 16. Calyculin A. A novel antitumor metabolite from the marine sponge Discodermia calyx Journal of the American Chemical Society, 1986, 108, 2780-2781
5000241	CIF	C36 H45 Cl N4 O	P 21 21 21	12.989; 15.267; 15.89 90; 90; 90	3151.04	Sakai, Ryuichi; Higa, Tatsuo; Jefford, Charles W.; Bernardinelli, Gerald Manzamine A, a novel antitumor alkaloid from a sponge Journal of the American Chemical Society, 1986, 108, 6404-6405
5000247	CIF	C38 H62 O8	P 21 21 21	11.417; 15.22; 22.486 90; 90; 90	3907.32	Bauer, Ines; Maranda, Lucie; Shimizu, Yuzuru; Peterson, Russell W.; Cornell, Laurie; Steiner, Jorge Rios; Clardy, Jon The Structures of Amphidinolide B Isomers: Strongly Cytotoxic Macrolides Produced by a Free-Swimming Dinoflagellate, Amphidinium sp Journal of the American Chemical Society, 1994, 116, 2657-2658
5000250	CIF	C64 H94 N8 O15	P 21 21 21	13.456; 17.884; 28.965 90; 90; 90	6970.34	Renner, Matthew K.; Shen, Ya-Ching; Cheng, Xing-Chung; Jensen, Paul R.; Frankmoelle, Walter; Kauffman, Christopher A.; Fenical, William; Lobkovsky, Emil; Clardy, Jon Cyclomarins A‒C, New Antiinflammatory Cyclic Peptides Produced by a Marine Bacterium (Streptomyces sp.) Journal of the American Chemical Society, 1999, 121, 11273-11276
5000254	CIF	C24 H22 Cl4 O6	P 21 21 21	21.137; 12.861; 9.516 90; 90; 90	2586.86	Arora, Satish K.; Bates, Robert B.; Grady, Raymond A.; Delfel, Norman E. Crystal and molecular structure of the one to one complex of rotenone and carbon tetrachloride Journal of the American Chemical Society, 1975, 97, 5752-5755
5000255	CIF	C12 H25 Cl2 N7 O5	P 21 21 21	9.213; 11.837; 18.573 90; 90; 90	2025.47	Bordner, Jon; Thiessen, William E.; Bates, Hans A.; Rapoport, Henry Structure of a crystalline derivative of saxitoxin. Structure of saxitoxin Journal of the American Chemical Society, 1975, 97, 6008-6012
5000260	CIF	C15 H14 N4 O3 S	C 1 2/c 1	22.71; 8.052; 15.879 90; 95.72; 90	2889.19	Jalal, M. A. F.; Hossain, M. B.; Van der Helm, Dick; Sanders-Loehr, J.; Actis, L. A.; Crosa, J. H. Structure of anguibactin, a unique plasmid-related bacterial siderophore from the fish pathogen Vibrio anguillarum Journal of the American Chemical Society, 1989, 111, 292-296
5000271	CIF	C51 H72 Cl N7 O16	P 21 21 21	8.801; 22.595; 27.776 90; 90; 90	5523.5	Trischman, Jacqueline A.; Tapiolas, Dianne M.; Jensen, Paul R.; Dwight, Ryan; Fenical, William; McKee, Tawnya C.; Ireland, Chris M.; Stout, Thomas J.; Clardy, Jon Salinamides A and B: anti-inflammatory depsipeptides from a marine streptomycete Journal of the American Chemical Society, 1994, 116, 757-758
5000275	CIF	C19 H25 N O	P 1 21 1	9.593; 7.815; 11.342 90; 99.47; 90	838.71	Williams, Geoffrey M.; Roughley, Stephen D.; Davies, John E.; Holmes, Andrew B.; Adams, Joseph P. Synthesis of (-)-Histrionicotoxin by a Tandem Process Journal of the American Chemical Society, 1999, 121, 4900-4901
5000277	CIF	C29 H30 N4 O10	P 21 21 21	13.676; 30.663; 6.821 90; 90; 90	2860.37	Chiu, Yuan-Yuan H.; Lipscomb, William N. Molecular and crystal structure of streptonigrin Journal of the American Chemical Society, 1975, 97, 2525-2530
5000279	CIF	C22 H22 N2 O7 Se	P -1	8.574; 11.434; 12.702 114.14; 92.33; 103.39	1092.53	Burton, Jonathan W.; Clark, J. Stephen; Derrer, Sam; Stork, Thomas C.; Bendall, Justin G.; Holmes, Andrew B. Synthesis of Medium Ring Ethers. 5. The Synthesis of (+)-Laurencin Journal of the American Chemical Society, 1997, 119, 7483-7498
5000280	CIF	C22 H22 O4	P 1 21/c 1	8.144; 11.439; 19.712 90; 94.12; 90	1831.61	Miles, D. Howard; Bhattacharyya, J.; Mody, Naresh V.; Atwood, Jerry L.; Black, Susan; Hedin, Paul A. Antineoplastic agents. 3. The structure of juncusol. A novel cytotoxic dihydrophenanthrene from the estuarine marsh plant juncus reomerianus Journal of the American Chemical Society, 1977, 99, 618-620
5000296	CIF	C182 H193 Mn18 N7 O74 P12	C 1 2/c 1	55.071; 33.491; 27.331 90; 114.966; 90	45699	Colette Boskovic; Maren Pink; John C. Huffman; David N. Hendrickson; George Christou Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn-Teller Isomerism in [Mn12O12(O2CMe)8(O2PPh2)8(H2O)4] Journal of the American Chemical Society, 2001, 123, 9914-9915
5000298	CIF	C124 H136 Cl24 Mn12 O48 P8	P 42/n :2	25.2075; 25.2075; 13.4133 90; 90; 90	8523.1	Boskovic, Colette; Pink, Maren; Huffman, John C.; Hendrickson, David N.; Christou, George Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn‒Teller Isomerism in [Mn~12~O~12~(O~2~CMe)~8~(O~2~PPh~2~)~8~(H~2~O)~4~] Journal of the American Chemical Society, 2001, 123, 9914-9915
5000342	CIF	C105 H102 Cl18 Mn12 N6 O30	C 1 2/c 1	36.774; 14.9295; 27.037 90; 121.884; 90	12604.3	Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6] Journal of the American Chemical Society, 2002, 124, 3725-3736
5000356	CIF	C104 H104 Cl12 Mn12 N6 O32	P -1	14.2602; 14.8241; 15.7931 94.558; 92.773; 114.916	3005.9	Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6] Journal of the American Chemical Society, 2002, 124, 3725-3736
5000357	CIF	C107.4 H110.8 Br4 Cl2.8 Mn12 N6 O32	I 41/a :2	41.153; 41.153; 14.3127 90; 90; 90	24239.5	Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6] Journal of the American Chemical Society, 2002, 124, 3725-3736
5000365	CIF	C105 H96 Cl10 Mn6 O16	P 1 21/c 1	17.172; 18.302; 34.534 90; 100.363; 90	10677	Guillem Aromí; Michael J. Knapp; Juan-Pablo Claude; John C. Huffman; David N. Hendrickson; George Christou High-Spin Molecules: Hexanuclear MnIII Clusters with [Mn6O4X4]6+ (X = Cl-, Br-) Face-Capped Octahedral Cores and S= 12 Ground States Journal of the American Chemical Society, 1999, 121, 5489-5499
5000368	CIF	C31 H24 Cl3 Mn O4	P 1 21/n 1	13.888; 8.3476; 24.702 90; 102.689; 90	2793.8	Guillem Aromí; Michael J. Knapp; Juan-Pablo Claude; John C. Huffman; David N. Hendrickson; George Christou High-Spin Molecules: Hexanuclear MnIII Clusters with [Mn6O4X4]6+ (X = Cl-, Br-) Face-Capped Octahedral Cores and S= 12 Ground States Journal of the American Chemical Society, 1999, 121, 5489-5499
5000376	CIF	C57 H59 B F25 O P2 Ru	C 1 2/c 1	18.744; 17.87; 18.608 90; 95.48; 90	6204.4	Huang, Dejian; Huffman, John C.; Bollinger, John C.; Eisenstein, Odile; Caulton, Kenneth G. The First η^2^-CH~2~Cl~2~ Adduct of Ru(II):[RuH(η^2^-CH~2~Cl~2~)(CO)(P^t^Bu~2~Me)~2~][BAr'~4~] (Ar' = 3,5-C~6~H~3~(CF~3~)~2~) and Its RuH(CO)(P^t^Bu~2~Me)~2~ + Precursor Journal of the American Chemical Society, 1997, 119, 7398-7399
5000381	CIF	C61 H40 O	P 1 2/c 1	15.031; 11.437; 12.326 90; 96.702; 90	2104.48	Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal Polyphenylbiphenyls and Polyphenylfluorenes Journal of the American Chemical Society, 1998, 120, 6000-6006
5000383	CIF	C48 H34	P n n a	20.912; 16.579; 9.737 90; 90; 90	3375.82	Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal Polyphenylbiphenyls and Polyphenylfluorenes Journal of the American Chemical Society, 1998, 120, 6000-6006
5000391	CIF	C42 H24	P 1 21/c 1	19.8971; 6.9274; 19.4153 90; 103.846; 90	2598.35	Lisa Barnett; Douglas M. Ho; Kim K. Baldridge; Robert A. Pascal The Structure of Hexabenzotriphenylene and the Problem of Overcrowded "D3h" Polycyclic Aromatic Compounds Journal of the American Chemical Society, 1999, 121, 727-733
5000396	CIF	C47 H48 O	C 1 2/c 1	22.8785; 12.4546; 25.6155 90; 93.51; 90	7285.3	Jiajia Zhang; Douglas M. Ho; Robert A. Pascal Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone Journal of the American Chemical Society, 2001, 123, 10919-10926
5000397	CIF	C43 H40 Cl2	P 1 21/n 1	13.3467; 9.3553; 27.408 90; 102.452; 90	3341.7	Jiajia Zhang; Douglas M. Ho; Robert A. Pascal Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone Journal of the American Chemical Society, 2001, 123, 10919-10926
5000398	CIF	C46 H48	P -1	10.1358; 16.5748; 22.172 76.86; 82.762; 75.525	3502.7	Jiajia Zhang; Douglas M. Ho; Robert A. Pascal Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone Journal of the American Chemical Society, 2001, 123, 10919-10926
5900015	CIF	C2 H5 N O	R 3 c :H	11.44; 11.44; 13.49 90; 90; 120	1528.95	J. Am. Chem. Soc., 1940, 62, 2008
5900016	CIF	C2 H4 N4	C 1 2/c 1	15; 4.44; 13.12 90; 115.33; 90	789.78	J. Am. Chem. Soc., 1940, 62, 1258
5900020	CIF	C4 H8 I2 S3	P 41 21 2	6.01; 6.01; 29.4 90; 90; 90	1061.93	J. Am. Chem. Soc., 1950, 72, 2701
5900025	CIF	C H6 Cl N	P 4/m n c	6.04; 6.04; 5.05 90; 90; 90	184.23	J. Am. Chem. Soc., 1946, 68, 1970
6000558	CIF	Ag F3	P 61 2 2	5.0782; 5.0782; 15.4524 90; 90; 120	345.1	Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N. Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3 Journal of The American Chemical Society, 1991, 113, 4192-4198
6000559	CIF	Au F3	P 61 2 2	5.1508; 5.1508; 16.2637 90; 90; 120	373.68	Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N. Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3 Journal of The American Chemical Society, 1991, 113, 4192-4198
6000560	CIF	Fe2 O5 P	P n m a	7.3639; 6.432; 7.455 90; 90; 90	353.1	Warner, J. K.; Cheetham, A. K.; Cox, D. E.; Vondreele, R. B. Valence contrast between iron sites in alpha-Fe2PO5 - a comparative-study by magnetic neutron and resonant X-ray-powder diffraction Journal of The American Chemical Society, 1992, 114, 6074-6080
9009782	CIF	Fe2 O3	R -3 c :R	5.42; 5.42; 5.42 55.28; 55.28; 55.28	100.236	Pauling, L.; Hendricks, S. B. Crystal structures of hematite and corundum Journal of the American Chemical Society, 1925, 47, 781-790
9012287	CIF	O4 Pb3	P -4 b 2	8.86; 8.86; 6.66 90; 90; 90	522.807	Gross, S. T. The crystal structure of Pb3O4 Journal of the American Chemical Society, 1943, 65, 1107-1110
9012288	CIF	B	P -4 n 2	8.73; 8.73; 5.03 90; 90; 90	383.351	Hoard, J. L.; Geller, S.; Hughes, R. E. On the structure of elementary boron Journal of the American Chemical Society, 1951, 73, 1892-1893
9012289	CIF	C	F d -3 m :1	3.56669; 3.56669; 3.56669 90; 90; 90	45.373	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012290	CIF	C	F d -3 m :1	3.56672; 3.56672; 3.56672 90; 90; 90	45.374	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012291	CIF	C	F d -3 m :1	3.56678; 3.56678; 3.56678 90; 90; 90	45.376	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012292	CIF	C	F d -3 m :1	3.56684; 3.56684; 3.56684 90; 90; 90	45.379	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012293	CIF	C	F d -3 m :1	3.5669; 3.5669; 3.5669 90; 90; 90	45.381	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012294	CIF	C	F d -3 m :1	3.5667; 3.5667; 3.5667 90; 90; 90	45.373	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012295	CIF	C	F d -3 m :1	3.56674; 3.56674; 3.56674 90; 90; 90	45.375	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012296	CIF	C	F d -3 m :1	3.56675; 3.56675; 3.56675 90; 90; 90	45.375	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012297	CIF	C	F d -3 m :1	3.56683; 3.56683; 3.56683 90; 90; 90	45.378	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012298	CIF	C	F d -3 m :1	3.56689; 3.56689; 3.56689 90; 90; 90	45.38	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012299	CIF	C	F d -3 m :1	3.5668; 3.5668; 3.5668 90; 90; 90	45.377	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012300	CIF	C	F d -3 m :1	3.5668; 3.5668; 3.5668 90; 90; 90	45.377	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012301	CIF	C	F d -3 m :1	3.56684; 3.56684; 3.56684 90; 90; 90	45.379	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012302	CIF	C	F d -3 m :1	3.56689; 3.56689; 3.56689 90; 90; 90	45.38	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012303	CIF	C	F d -3 m :1	3.567; 3.567; 3.567 90; 90; 90	45.385	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012305	CIF	C	F d -3 m :1	3.56678; 3.56678; 3.56678 90; 90; 90	45.376	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #2 Journal of the American Chemical Society, 1951, 73, 5643-5646
9012309	CIF	B	P 42/n n m :1	8.74; 8.74; 5.068 90; 90; 90	387.132	Hoard, J. L.; Hughes, R. E.; Sands, D. E. The structure of tetragonal boron Sample: needle III Journal of the American Chemical Society, 1958, 80, 4507-4515
9012310	CIF	B	P 42/n n m :1	8.771; 8.771; 5.088 90; 90; 90	391.422	Hoard, J. L.; Hughes, R. E.; Sands, D. E. The structure of tetragonal boron Sample: plate Journal of the American Chemical Society, 1958, 80, 4507-4515
9012311	CIF	S6	R -3 :H	10.818; 10.818; 4.28 90; 90; 120	433.779	Donohue, J.; Caron, A.; Goldish, E. The crystal and molecular structure of S6 (sulfur-6) Locality: synthetic Journal of the American Chemical Society, 1961, 83, 3748-3751
9014103	CIF	Na Nb O3	P 21 m a	5.571; 7.766; 5.513 90; 90; 90	238.517	Johnston, K. E.; Tang, C. C.; Parker, J. E.; Knight, K. S.; Lightfoot, P.; Ashbrook, S. E. The polar phase of NaNbO3: a combined study by powder diffraction, solid-state NMR and first-principles calculations Note: this is a polymorph of lueshite Journal of the American Chemical Society, 2010, 132, 8732-8746
9014359	CIF	Al2 Ca3 O6	P m -3 m	7.624; 7.624; 7.624 90; 90; 90	443.148	Steele, F. A.; Davey, W. P. The crystal structure of tricalcium aluminate Journal of the American Chemical Society, 1929, 51, 2283-2293
9014841	CIF	C2.878 H11.38 O5	F d -3 m :1	17.1925; 17.1925; 17.1925 90; 90; 90	5081.79	Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K Journal of the American Chemical Society, 2004, 126, 9407-9412
9014909	CIF	C1.72 H18 O10	F d -3 m :1	17.175; 17.175; 17.175 90; 90; 90	5066.29	Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K Journal of the American Chemical Society, 2004, 126, 9407-9412
9017518	CIF	Fe O3	R 3 c :R	5.43; 5.43; 5.43 55.28; 55.28; 55.28	100.792	Pauling, L.; Hendricks, S. The Structure of Hematite Journal of the American Chemical Society, 1925, 47, 781-790

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