Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1544855 | CIF | Al9.21 Ca3.64 H50.4 K0.4 Na1.14 O97.2 Si26.88 Sr0.21 | C 1 2/m 1 | 17.716; 17.584; 7.452 90; 116.7; 90 | 2073.9 | Khobaer, T.M.; Kuribayashi, T.; Komatsu, K.; Kudoh, Y. The partially dehydrated structure of natural heulandite: An in situ high temperature single crystal X-ray diffraction study Sample: 200 C Journal of Mineralogical and Petrological Sciences, 2008, 103, 61-76 |
| 1544856 | CIF | Al9.21 Ca3.64 H50.4 K0.4 Na1.14 O97.2 Si26.88 Sr0.21 | C 1 2/m 1 | 17.082; 16.685; 7.351 90; 116.93; 90 | 1867.9 | Khobaer, T.M.; Kuribayashi, T.; Komatsu, K.; Kudoh, Y. The partially dehydrated structure of natural heulandite: An in situ high temperature single crystal X-ray diffraction study Sample: 250 C Journal of Mineralogical and Petrological Sciences, 2008, 103, 61-76 |
| 1544857 | CIF | Al9.21 Ca3.64 H50.4 K0.4 Na1.14 O97.2 Si26.88 Sr0.21 | C 1 2/m 1 | 17.033; 16.589; 7.33 90; 117.37; 90 | 1839 | Khobaer, T.M.; Kuribayashi, T.; Komatsu, K.; Kudoh, Y. The partially dehydrated structure of natural heulandite: An in situ high temperature single crystal X-ray diffraction study Sample: 300 C Journal of Mineralogical and Petrological Sciences, 2008, 103, 61-76 |
| 1544858 | CIF | Al0.06 Ca2.01 Fe1.69 H Mg0.11 Mn0.09 Na0.01 O15 Si5.01 Ti0.01 | P -1 | 7.4667; 11.6253; 6.682 91.533; 93.886; 104.203 | 560.43 | Akasaka, M.; Kimura, T.; Nagashima, M. X-ray Rietveld and 7Fe Mossbauer study of babingtonite from Kouragahana, Shimane Peninsula, Japan Journal of Mineralogical and Petrological Sciences, 2013, 108, 121-130 |
| 1544859 | CIF | C H0.85 Ce0.49 Eu0.01 F0.15 Gd0.01 La0.21 Nd0.16 O3.85 Pr0.06 Sm0.02 Th0.01 Y0.03 | P -6 | 12.473; 12.473; 9.9607 90; 90; 120 | 1342 | Michiba, K.; Miyawaki, R.; Minakawa, T.; Terada, Y.; Nakai, I.; Matsubara, S. Crystal structure of hydroxylbastnasite-(Ce) from Kamihouri, Miyazaki Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2013, 108, 326-334 |
| 1544860 | CIF | Ce0.14 Dy0.22 Er0.07 F2.03 Fe0.35 Gd0.21 Mg0.58 Nd0.24 O13.97 Si4 Sm0.14 Y2.71 Yb0.09 | P -1 | 6.527; 8.656; 5.519 99.09; 104.14; 91.48 | 297.9 | Matsubara, S.; Miyawaki, R.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S. Magnesiorowlandite-(Y), Y4(Mg,Fe)(Si2O7)2F2, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Journal of Mineralogical and Petrological Sciences, 2014, 109, 109-117 |
| 1544861 | CIF | As2 Fe1.38 H16 O16 Zn1.62 | C 1 2/m 1 | 10.3417; 13.4837; 4.7756 90; 105.306; 90 | 642.31 | Yoshiasa, A.; Miyano, Y.; Isobe, H.; Sugiyama, K.; Arima, H.; Nakatsuka, A.; Momma, K.; Miyawaki, R. Structural refinement of kottigite-parasymplesite solid solution: Unique cation site occupancy and chemical bonding with water molecules Journal of Mineralogical and Petrological Sciences, 2016, 111, 363-369 |
| 1544862 | CIF | Al8.4 B3.42 H3 Li0.6 Na0.7 O31 Si5.58 | R 3 m :H | 15.816; 15.816; 7.0944 90; 90; 120 | 1536.88 | Sugiyama, K.; Arima, H.; Konno, H.; Kawamata, T. Distribution of Mn in pink elbaitic tourmaline from Mogok, Myanmar Journal of Mineralogical and Petrological Sciences, 2016, 111, 1-8 |
| 1544863 | CIF | Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13 | C m c m | 14.9424; 10.6332; 7.0365 90; 90; 90 | 1118 | Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S. Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Sample: not annealed Journal of Mineralogical and Petrological Sciences, 2015, 110, 135-144 |
| 1544864 | CIF | Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13 | C m c m | 14.934; 10.53; 6.952 90; 90; 90 | 1093.2 | Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S. Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Sample: annealed at 810 C Journal of Mineralogical and Petrological Sciences, 2015, 110, 135-144 |
| 1544865 | CIF | Dy0.08 Nb0.45 O4 Ta0.57 Y0.75 | I 1 2/a 1 | 5.3182; 10.9583; 5.0595 90; 94.993; 90 | 293.74 | Nishio-Hamane, D.; Minakawa, T.; Ohgoshi, Y. Takanawaite-(Y), a new mineral of the M-type polymorph with Y(Ta,Nb)O4 from Takanawa Mountain, Ehime Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2013, 108, 335-344 |
| 1544866 | CIF | Al2.43 Ca1.86 Cr0.09 Fe0.48 H O13 Si3 Sr0.14 | P 1 21/m 1 | 8.8815; 5.5956; 10.1532 90; 115.159; 90 | 456.72 | Nagashima, M.; Akasaka, M.; Kyono, A.; Makino, K.; Ikeda, K. Distribution of chromium among the octahedral sites in chromian epidote from Iratsu, central Shikoku, Japan Sample: CrEp1 Journal of Mineralogical and Petrological Sciences, 2007, 102, 240-254 |
| 1544867 | CIF | Al2.2 Ca1.9 Cr0.17 Fe0.49 H O13 Si3 Sr0.1 | P 1 21/m 1 | 8.9165; 5.6226; 10.1728 90; 115.237; 90 | 461.33 | Nagashima, M.; Akasaka, M.; Kyono, A.; Makino, K.; Ikeda, K. Distribution of chromium among the octahedral sites in chromian epidote from Iratsu, central Shikoku, Japan Sample: CrEp2 Journal of Mineralogical and Petrological Sciences, 2007, 102, 240-254 |
| 1544868 | CIF | Al2.27 Ca1.88 Cr0.22 Fe0.51 H O13 Si3 Sr0.12 | P 1 21/m 1 | 8.895; 5.61; 10.146 90; 115.177; 90 | 458.2 | Nagashima, M.; Akasaka, M.; Kyono, A.; Makino, K.; Ikeda, K. Distribution of chromium among the octahedral sites in chromian epidote from Iratsu, central Shikoku, Japan Sample: CrEp3 Journal of Mineralogical and Petrological Sciences, 2007, 102, 240-254 |
| 1544869 | CIF | Al9.61 Ca18.97 Fe1.49 H9.43 Mg1.81 O78 Si17.74 | P 4/n | 15.576; 15.576; 11.835 90; 90; 90 | 2871.3 | Ohkawa, M.; Armbruster, T.; Galuskin, E. Structural investigation of low-symmetry vesuvianite collected from Tojyo, Hiroshima, Japan: Implications for hydrogarnet-like substitution Journal of Mineralogical and Petrological Sciences, 2009, 104, 69-76 |
| 1544870 | CIF | Ca1.55 O4 Si Sr0.45 | P n a 21 | 20.522; 9.339; 5.558 90; 90; 90 | 1065.2 | Itoh, H.; Nishi, F.; Kuribayashi, T.; Kudoh, Y. Orientational ordering of three SiO4 tetrahedra in alpha'L-Ca1.5Sr0.5SiO4 that satisfies bond-valence requirements and avoids O-O replusion Journal of Mineralogical and Petrological Sciences, 2009, 104, 234-240 |
| 1544871 | CIF | Cu Fe2 S3 | P -4 3 m | 5.2972; 5.2972; 5.2972 90; 90; 90 | 148.64 | Mizota, T.; Koto, K. Disorder of metal atoms in the structure of quenched high-temperature cubanite, CuFe2S3, Z=4/3 Mineralogical Journal, 1983, 11, 213-221 |
| 1544872 | CIF | Al2 H4 O9 Si2 | C 1 c 1 | 8.92; 5.157; 15.684 90; 113.61; 90 | 661.1 | Toraya, H.; Iwai, S.; Marumo, F. The structural investigation of a kaolin mineral by X-ray powder pattern-fitting Mineralogical Journal, 1980, 10, 168-180 |
| 1544873 | CIF | Bi2.86 Cu0.98 S5 | C 1 2/m 1 | 13.217; 4.0327; 14.076 90; 115.53; 90 | 677 | Tomeoka, K.; Ohmasa, M.; Sadanaga, R. Crystal chemical studies on some compounds in the Cu2S-Bi2S3 system Sample: CB-135 Mineralogical Journal, 1980, 10, 57-70 |
| 1544874 | CIF | Bi4.89 Cu2.93 S9 | C 1 2/m 1 | 13.207; 3.993; 14.812 90; 100.2; 90 | 768.8 | Tomeoka, K.; Ohmasa, M.; Sadanaga, R. Crystal chemical studies on some compounds in the Cu2S-Bi2S3 system Sample: CB-359 Mineralogical Journal, 1980, 10, 57-70 |
| 1544875 | CIF | Al1.29 Fe0.33 H1.54 K0.78 Mg1.2 Mn1.36 Na0.11 O11.2 Si2.69 | C 1 2/m 1 | 5.392; 9.342; 10.365 90; 100.29; 90 | 513.7 | Kato, T.; Miura, Y.; Yoshii, M.; Maeda, K. The crystal structures of 1M-kinoshitalite, a new barium brittle mica and 1M-manganese trioctahedral micas Sample: No.0 Mineralogical Journal, 1979, 9, 392-408 |
| 1544876 | CIF | Al1.15 H1.93 K0.846 Mg1.74 Mn1.14 Na0.187 O11.2 Si2.75 | C 1 2/m 1 | 5.38; 9.295; 10.318 90; 99.96; 90 | 508.2 | Kato, T.; Miura, Y.; Yoshii, M.; Maeda, K. The crystal structures of 1M-kinoshitalite, a new barium brittle mica and 1M-manganese trioctahedral micas Sample: No.1 Mineralogical Journal, 1979, 9, 392-408 |
| 1544877 | CIF | Al1.07 Ba0.11 Fe0.49 H1.57 K0.73 Mg2.27 Mn0.49 Na0.32 O12 Si2.86 | C 1 2/m 1 | 5.349; 9.241; 10.282 90; 99.96; 90 | 500.6 | Kato, T.; Miura, Y.; Yoshii, M.; Maeda, K. The crystal structures of 1M-kinoshitalite, a new barium brittle mica and 1M-manganese trioctahedral micas Sample: No.2 Mineralogical Journal, 1979, 9, 392-408 |
| 1544878 | CIF | Al1.65 Ba0.35 F0.07 H1.18 K0.58 Mg2.1 Mn0.73 O12 Si2.33 | C 1 2/m 1 | 5.33; 9.245; 10.24 90; 99.92; 90 | 497 | Kato, T.; Miura, Y.; Yoshii, M.; Maeda, K. The crystal structures of 1M-kinoshitalite, a new barium brittle mica and 1M-manganese trioctahedral micas Sample: No.5 Mineralogical Journal, 1979, 9, 392-408 |
| 1544879 | CIF | Al2.16 Ba0.58 F0.06 H1.62 K0.35 Mg2.07 Mn0.73 Na0.11 O12 Si2.05 | C 1 2/m 1 | 5.345; 9.25; 10.256 90; 99.99; 90 | 499.4 | Kato, T.; Miura, Y.; Yoshii, M.; Maeda, K. The crystal structures of 1M-kinoshitalite, a new barium brittle mica and 1M-manganese trioctahedral micas Sample: No.5 Mineralogical Journal, 1979, 9, 392-408 |
| 1544880 | CIF | F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 | P 21/b 1 1 | 4.728; 10.263; 7.872 109.07; 90; 90 | 361.01 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 1 atm Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
| 1544881 | CIF | F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 | P 21/b 1 1 | 4.7; 10.14; 7.782 109.01; 90; 90 | 350.6 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 3.8 GPa, RT Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
| 1544882 | CIF | F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 | P 21/b 1 1 | 4.686; 10.092; 7.75 108.98; 90; 90 | 346.6 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 5.5 GPa, RT Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
| 1544883 | CIF | F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 | P 21/b 1 1 | 4.666; 10.047; 7.722 108.97; 90; 90 | 342.3 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 7.3 GPa, RT Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
| 1544884 | CIF | H2 Mg4.98 O10 Si2.01 | P 21/b 1 1 | 4.711; 10.239; 7.821 108.65; 90; 90 | 357.4 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: chondrodite-OH at 3.7 GPa, RT Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
| 1544885 | CIF | H2 Mg4.98 O10 Si2.01 | P 21/b 1 1 | 4.696; 10.182; 7.776 108.55; 90; 90 | 352.49 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: chondrodite-OH at 5.9 GPa, RT Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
| 1544886 | CIF | Al O3 Sc | P b n m | 4.9355; 5.2313; 7.2003 90; 90; 90 | 185.91 | Yamanaka, T.; Liebermann, R.C.; Prewitt, C.T. Thermal expansion of alumnus perovskite ScAlO3 Sample: at 20 C Journal of Mineralogical and Petrological Sciences, 2000, 95, 182-192 |
| 1544887 | CIF | Al O3 Sc | P b n m | 4.9535; 5.2436; 7.2157 90; 90; 90 | 187.42 | Yamanaka, T.; Liebermann, R.C.; Prewitt, C.T. Thermal expansion of alumnus perovskite ScAlO3 Sample: at 440 C Journal of Mineralogical and Petrological Sciences, 2000, 95, 182-192 |
| 1544888 | CIF | Al O3 Sc | P b n m | 4.9691; 5.2525; 7.2273 90; 90; 90 | 188.63 | Yamanaka, T.; Liebermann, R.C.; Prewitt, C.T. Thermal expansion of alumnus perovskite ScAlO3 Sample: at 703 C Journal of Mineralogical and Petrological Sciences, 2000, 95, 182-192 |
| 1544889 | CIF | Fe0.2 Mg1.8 O4 Si | P b n m | 4.769; 10.243; 6.003 90; 90; 90 | 293.2 | Aikawa, N.; Tokonami, M. Crystal structure and cation distribution of "cleavable" olivines Sample: Oeyama Mineralogical Journal, 1987, 13, 271-279 |
| 1544890 | CIF | Fe0.24 Mg1.76 O4 Si | P b n m | 4.754; 10.209; 5.986 90; 90; 90 | 290.5 | Aikawa, N.; Tokonami, M. Crystal structure and cation distribution of "cleavable" olivines Sample: Happo-One Mineralogical Journal, 1987, 13, 271-279 |
| 1544891 | CIF | Fe S2 | P a -3 | 5.417; 5.417; 5.417 90; 90; 90 | 158.956 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 1 atm Mineralogical Journal, 1986, 13, 202-211 |
| 1544892 | CIF | Fe S2 | P a -3 | 5.3825; 5.3825; 5.3825 90; 90; 90 | 155.94 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 3.1 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 1544893 | CIF | Fe S2 | P a -3 | 5.3702; 5.3702; 5.3702 90; 90; 90 | 154.87 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 4.2 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 1544894 | CIF | Co S2 | P a -3 | 5.5348; 5.5348; 5.5348 90; 90; 90 | 169.55 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1 atm Mineralogical Journal, 1986, 13, 202-211 |
| 1544895 | CIF | Co S2 | P a -3 | 5.5068; 5.5068; 5.5068 90; 90; 90 | 166.993 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1.9 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 1544896 | CIF | Co S2 | P a -3 | 5.4799; 5.4799; 5.4799 90; 90; 90 | 164.56 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 3.6 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 1544897 | CIF | Mn O2 Rb0.27 | A 1 2/m 1 | 15.04; 2.886; 14.64 90; 92.4; 90 | 634.9 | Tamada, O.; Yamamoto, N. The crystal structure of a new manganese dioxide (Rb0.27MnO2) with a giant tunnel Mineralogical Journal, 1986, 13, 130-140 |
| 1544898 | CIF | Al8.9 Ca18.6 Fe1.4 H2 Mg2.1 Mn0.3 O73 Si18.2 | P 4/n n c | 15.561; 15.561; 11.777 90; 90; 90 | 2852 | Yoshiasa, A.; Matsumoto, T. The crystal structure of vesuvianite from Nakatatsu mine: reinvestigation of the cation site-populations and of the hydroxyl groups Mineralogical Journal, 1986, 13, 1-12 |
| 1544899 | CIF | Al8.9 Ca18.6 Fe1.4 H2 Mg2.1 Mn0.3 O73 Si18.2 | P 4/n n c | 15.565; 15.565; 11.816 90; 90; 90 | 2862.65 | Yoshiasa, A.; Matsumoto, T. The crystal structure of vesuvianite from Nakatatsu mine: reinvestigation of the cation site-populations and of the hydroxyl groups Sample: reanalyzed data of Coda et al. (1970) Mineralogical Journal, 1986, 13, 1-12 |
| 1544900 | CIF | Be2 O4 Si | R -3 | 12.415; 12.415; 8.215 90; 90; 120 | 1096.6 | Kogure, T.; Takeuchi, Y. Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 2.2 GPa Mineralogical Journal, 1986, 13, 22-27 |
| 1544901 | CIF | Be2 O4 Si | R -3 | 12.391; 12.391; 8.2 90; 90; 120 | 1090.3 | Kogure, T.; Takeuchi, Y. Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 3.2 GPa Mineralogical Journal, 1986, 13, 22-27 |
| 1544902 | CIF | Al6.33 Ca1.16 H20.1 K1.68 Mg0.25 Na1.8 O92.1 Si29.81 | C -1 | 17.698; 17.511; 7.392 90.21; 116.76; 90.19 | 2045 | Kudoh, Y.; Takeuchi, Y. Thermal stability of clinoptilolite: the crystal structure at 350C Mineralogical Journal, 1983, 11, 392-406 |
| 1544903 | CIF | C29 H31 N3 O3 Pd | P 41 21 2 | 9.1556; 9.1556; 66.051 90; 90; 90 | 5536.7 | Huang, Yingda; He, Jianyun; Liu, Zhanxiong; Cai, Guilong; Zhang, Shaowen; Li, Xiaofang A highly active chiral (S,S)-bis(oxazoline) Pd(ii) alkyl complex/activator catalytic system for vinyl polymerization of norbornene in air and water Polym. Chem., 2017, 8, 1217 |
| 1544904 | CIF | Li3 N | P 6/m m m | 3.652; 3.652; 3.866 90; 90; 120 | 44.65 | Kawada, I; Isobe, M.; Okamura, F.P.; Watanabe, H.; Ohsumi, K.; Horiuchi, H.; Sato, T.; Ishii, T. Time-of-flight neutron diffraction study of Li3N at high temperature Sample: 20 C Mineralogical Journal, 1986, 13, 28-33 |
| 1544905 | CIF | Li3 N | P 6/m m m | 3.698; 3.698; 3.888 90; 90; 120 | 46.05 | Kawada, I; Isobe, M.; Okamura, F.P.; Watanabe, H.; Ohsumi, K.; Horiuchi, H.; Sato, T.; Ishii, T. Time-of-flight neutron diffraction study of Li3N at high temperature Sample: 400 C Mineralogical Journal, 1986, 13, 28-33 |
| 1544906 | CIF | Al H O2 | P b n m | 4.3992; 9.4214; 2.8446 90; 90; 90 | 117.899 | Iwai, S.; Yamamoto, H.; Morikawa, H.; Isobe, M. Topotactic thermal-transformation of diaspore to corundum Sample: no heat treatment Mineralogical Journal, 1973, 7, 137-158 |
| 1544907 | CIF | Al2.5 Ca0.7 K0.17 Mn7.5 Na0.06 O32 Si9.8 | I 1 2/a 1 | 5.534; 13.565; 25.09 90; 93.96; 90 | 1878.98 | Kato, T. The crystal structure of ganophyllite; monoclinic subcell Mineralogical Journal, 1980, 10, 1-13 |
| 1544908 | CIF | Al7.2 B3 Ca0.09 F0.72 H3 K0.06 Na0.64 O30 Si6 | R 3 m :H | 15.874; 15.874; 7.116 90; 90; 120 | 1552.9 | Kihara, K.; Hirata, H.; Ida, A.; Okudera, H.; Morishita, T. An X-ray single crystal study of asymmetric thermal vibrations and the positional disorder of atoms in elbaite Refinement type: harmonic Journal of Mineralogical and Petrological Sciences, 2007, 102, 115-126 |
| 1544909 | CIF | Al0.5 La2 Li0.5 O4 | I 4/m m m | 3.7742; 3.7742; 12.753 90; 90; 90 | 181.66 | Hamao, N.; Kataoka, K.; Akimoto, J. Single-crystal synthesis and structure refinement of La2Li0.5Al0.5O4 with K2NiF4-type structure Journal of Asian Ceramic Societies, 2015, 3, 301-304 |
| 1544910 | CIF | Bi2 O6 Sr | P -3 1 m | 5.5406; 5.5406; 5.34 90; 90; 120 | 141.97 | Kumada, N.; Miura, A.; Takei, T.; Yashima, M. Crystal structures of a pentavalent bismuthate, SrBi2O6 and a lead bismuth oxide (Pb1/3Bi2/3)O1.4 Journal of Asian Ceramic Societies, 2014, 2, 150-153 |
| 1544911 | CIF | Bi0.667 O1.4 Pb0.333 | F m -3 m | 5.532; 5.532; 5.532 90; 90; 90 | 169.3 | Kumada, N.; Miura, A.; Takei, T.; Yashima, M. Crystal structures of a pentavalent bismuthate, SrBi2O6 and a lead bismuth oxide (Pb1/3Bi2/3)O1.4 Journal of Asian Ceramic Societies, 2014, 2, 150-153 |
| 1544912 | CIF | Bi2 Cd O6 | P 3 2 1 | 9.3641; 9.3641; 4.9523 90; 90; 120 | 376.07 | Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C. Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Comments: Reported Bi3 position is apparently wrong, and I moved to ideal position, but stll discrepancies with reported Bi3-O distances Journal of Asian Ceramic Societies, 2015, 3, 251-254 |
| 1544913 | CIF | Bi0.63 Cd0.37 O1.79 | F m -3 m | 5.411; 5.411; 5.411 90; 90; 90 | 158.43 | Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C. Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Journal of Asian Ceramic Societies, 2015, 3, 251-254 |
| 1544914 | CIF | C36 H54 O5 | P 21 21 21 | 10.5654; 12.0671; 25.9946 90; 90; 90 | 3314.1 | Yang, Xing-Wei; Yang, Jing; Xu, Gang Skeleton Reassignment of Type C Polycyclic Polyprenylated Acylphloroglucinols. Journal of natural products, 2017, 80, 108-113 |
| 1544915 | CIF | Mg5 Nb4 O15 | C m c m | 3.806; 10.057; 10.267 90; 90; 90 | 393 | Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N. Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 293 K Journal of the Ceramic Society of Japan, 2009, 117, 489-493 |
| 1544916 | CIF | Mg5 Nb4 O15 | C m c m | 3.805; 10.08; 10.28 90; 90; 90 | 394.3 | Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N. Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 484 K Journal of the Ceramic Society of Japan, 2009, 117, 489-493 |
| 1544917 | CIF | Mg5 Nb4 O15 | C m c m | 3.809; 10.08; 10.294 90; 90; 90 | 395.2 | Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N. Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 590 K Journal of the Ceramic Society of Japan, 2009, 117, 489-493 |
| 1544918 | CIF | Mg5 Nb4 O15 | C m c m | 3.815; 10.097; 10.314 90; 90; 90 | 397.3 | Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N. Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 695 K Journal of the Ceramic Society of Japan, 2009, 117, 489-493 |
| 1544919 | CIF | Mg5 Nb4 O15 | C m c m | 3.814; 10.111; 10.334 90; 90; 90 | 398.5 | Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N. Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 802 K Journal of the Ceramic Society of Japan, 2009, 117, 489-493 |
| 1544920 | CIF | Mg5 Nb4 O15 | C m c m | 3.809; 10.15; 10.376 90; 90; 90 | 401.2 | Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N. Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 1013 K Journal of the Ceramic Society of Japan, 2009, 117, 489-493 |
| 1544921 | CIF | Mg5 Nb4 O15 | C m c m | 3.81; 10.188; 10.398 90; 90; 90 | 403.6 | Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N. Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 1117 K Journal of the Ceramic Society of Japan, 2009, 117, 489-493 |
| 1544922 | CIF | C16 H14 O6 | P 1 21 1 | 7.1535; 11.5439; 9.2553 90; 110.398; 90 | 716.37 | Nyandoro, Stephen S.; Munissi, Joan J. E.; Gruhonjic, Amra; Duffy, Sandra; Pan, Fangfang; Puttreddy, Rakesh; Holleran, John P.; Fitzpatrick, Paul A.; Pelletier, Jerry; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté Polyoxygenated Cyclohexenes and Other Constituents of Cleistochlamys kirkii Leaves. Journal of natural products, 2017, 80, 114-125 |
| 1544923 | CIF | C54 H97 N9 O17 | P 21 21 21 | 14.152; 18.712; 24.381 90; 90; 90 | 6456 | Motley, Jeremy L.; Stamps, Blake W.; Mitchell, Carter A.; Thompson, Alec T.; Cross, Jayson; You, Jianlan; Powell, Douglas R.; Stevenson, Bradley S.; Cichewicz, Robert H. Opportunistic Sampling of Roadkill as an Entry Point to Accessing Natural Products Assembled by Bacteria Associated with Non-anthropoidal Mammalian Microbiomes Journal of Natural Products, 2016 |
| 1544924 | CIF | C20 H34 O4 | P 1 21 1 | 7.098; 11.005; 12.116 90; 98.904; 90 | 935 | Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens. Journal of natural products, 2017, 80, 19-29 |
| 1544925 | CIF | C20 H34 O4 | P 1 21 1 | 7.342; 15.348; 8.002 90; 98.622; 90 | 891.5 | Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens. Journal of natural products, 2017, 80, 19-29 |
| 1544926 | CIF | C24 H10 Al F15 O2 | P b c a | 18.8274; 12.704; 19.8612 90; 90; 90 | 4750.5 | Wang, Qianyi; Zhao, Wuchao; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X. Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C6F5)3 Lewis Pairs: Structures of Intermediates, Kinetics, and Mechanism Macromolecules, 2017, 50, 123 |
| 1544927 | CIF | C H N O S | P -1 | 4.037; 10.599; 14.452 94.28; 95.46; 90.17 | 613.8 | Huang, Jun; Tang, Yumin; Gao, Ke; Liu, Feng; Guo, Han; Russell, Thomas P.; Yang, Tingbin; Liang, Yongye; Cheng, Xing; Guo, Xugang Head-to-Head Linkage Containing Dialkoxybithiophene-Based Polymeric Semiconductors for Polymer Solar Cells with Large Open-Circuit Voltages Macromolecules, 2016 |
| 1544928 | CIF | C38 H26 O2 | P 1 21/n 1 | 15.308; 18.011; 18.454 90; 90.22; 90 | 5088 | Yamano, Ryota; Hara, Jun; Murayama, Koichi; Sugiyama, Haruki; Teraoka, Kota; Uekusa, Hidehiro; Kawauchi, Susumu; Shibata, Yu; Tanaka, Ken Rh-Mediated Enantioselective Synthesis, Crystal Structures, and Photophysical/Chiroptical Properties of Phenanthrenol-Based [9]Helicene-like Molecules. Organic letters, 2017, 19, 42-45 |
| 1544929 | CIF | C33 H25 N3 O4 S | C 1 c 1 | 10.6286; 25.115; 10.7465 90; 104.224; 90 | 2780.7 | Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes. Organic letters, 2017, 19, 110-113 |
| 1544930 | CIF | C30 H22 N2 O2 S | P -1 | 9.003; 10.963; 12.428 72.805; 85.559; 79.074 | 1150.3 | Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes. Organic letters, 2017, 19, 110-113 |
| 1544931 | CIF | C32 H38 N4 | P 1 21/n 1 | 12.907; 5.227; 19.57 90; 99.198; 90 | 1303 | Pati, Narendra N.; Kumar, B. Sathish; Panda, Pradeepta K. β-Hexaalkylporphycenes: Positional Effect of Alkyl Groups toward Design and Control of Structural and Photophysical Properties in Isomeric Hexaethylporphycenes. Organic letters, 2016 |
| 1544932 | CIF | C32 H38 N4 | P 1 21/c 1 | 9.517; 18.851; 7.525 90; 104.876; 90 | 1304.8 | Pati, Narendra N.; Kumar, B. Sathish; Panda, Pradeepta K. β-Hexaalkylporphycenes: Positional Effect of Alkyl Groups toward Design and Control of Structural and Photophysical Properties in Isomeric Hexaethylporphycenes. Organic letters, 2016 |
| 1544933 | CIF | C20 H22 Cl N O2 | P 1 21/n 1 | 10.83; 9.6753; 16.09 90; 92.076; 90 | 1684.9 | Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction. Organic letters, 2017, 19, 266-269 |
| 1544934 | CIF | C12 H11 N3 O | P 1 21/c 1 | 8.798; 17.333; 7.162 90; 99.138; 90 | 1078.3 | Phatake, Ravindra S.; Mullapudi, Venkannababu; Wakchaure, Vivek C.; Ramana, Chepuri V. Fluoride-Mediated Dephosphonylation of α-Diazo-β-carbonyl Phosphonates. Organic letters, 2017, 19, 372-375 |
| 1544935 | CIF | C22 H21 N3 O2 | P 1 21/c 1 | 11.1909; 21.865; 8.6529 90; 112.255; 90 | 1959.5 | Phatake, Ravindra S.; Mullapudi, Venkannababu; Wakchaure, Vivek C.; Ramana, Chepuri V. Fluoride-Mediated Dephosphonylation of α-Diazo-β-carbonyl Phosphonates. Organic letters, 2017, 19, 372-375 |
| 1544936 | CIF | C58 H59 Cl4 N5 | P 1 21/c 1 | 21.1993; 8.9364; 27.249 90; 108.488; 90 | 4895.8 | Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles. Organic letters, 2017, 19, 226-229 |
| 1544937 | CIF | C60 H58 Br4 Cl4 N6 | P 4/n :2 | 14.2293; 14.2293; 14.5334 90; 90; 90 | 2942.62 | Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles. Organic letters, 2017, 19, 226-229 |
| 1544938 | CIF | C32 H37 N3 O8 S | P 1 21/c 1 | 8.89; 31.1842; 11.2873 90; 90.258; 90 | 3129.12 | Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C. Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine. Organic letters, 2017, 19, 162-165 |
| 1544939 | CIF | C32 H41 N O7 S Si | P c a 21 | 25.6854; 8.0217; 15.3789 90; 90; 90 | 3168.68 | Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C. Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine. Organic letters, 2017, 19, 162-165 |
| 1544940 | CIF | C37 H52 N2 O8 S Si | P -1 | 10.6659; 12.3; 29.9835 78.5156; 86.0516; 75.7746 | 3735.77 | Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C. Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine. Organic letters, 2017, 19, 162-165 |
| 1544941 | CIF | C26 H28 Cl2 O8 S2 | P 1 | 7.5065; 8.2625; 12.1071 93.086; 105.999; 96.045 | 715.11 | Wallbaum, Jan; Garve, Lennart K. B.; Jones, Peter G.; Werz, Daniel B. Ring-Opening 1,3-Halochalcogenation of Cyclopropane Dicarboxylates. Organic letters, 2017, 19, 98-101 |
| 1544942 | CIF | C30 H25 Cl N2 O3 | P n a 21 | 20.2861; 24.7581; 31.1511 90; 90; 90 | 15645.5 | Zhao, Hong-Wu; Liu, Yue-Yang; Zhao, Yu-Di; Pang, Hai-Liang; Chen, Xiao-Qin; Song, Xiu-Qing; Tian, Ting; Li, Bo; Yang, Zhao; Du, Juan; Feng, Ning-Ning [3 + 2] Cycloaddition of Oxazol-5-(4H)-ones with Nitrones for Diastereoselective Synthesis of Isoxazolidin-5-ones. Organic letters, 2016 |
| 1544943 | CIF | C28 H24 N2 O2 | P 1 21/c 1 | 18.542; 8.149; 16.428 90; 112.296; 90 | 2296.7 | Mangina, N. S. V. M. Rao; Kadiyala, Veerabhushanam; Guduru, Ravinder; Goutham, Kommuru; Sridhar, Balasubramanian; Karunakar, Galla V. Gold-Catalyzed Intramolecular Regioselective 7-exo-dig Cyclization To Access 3-Methylene-3,4-dihydrobenzo[b]oxepinones. Organic letters, 2017, 19, 282-285 |
| 1544944 | CIF | C26 H31 N3 O7 | P 21 21 21 | 8.4235; 17.6443; 17.7369 90; 90; 90 | 2636.2 | Yarlagadda, Suresh; Ramesh, B.; Ravikumar Reddy, C.; Srinivas, L.; Sridhar, B.; Subba Reddy, B. V. Organocatalytic Enantioselective Amination of 2-Substituted Indolin-3-ones: A Strategy for the Synthesis of Chiral α-Hydrazino Esters. Organic letters, 2017, 19, 170-173 |
| 1544945 | CIF | C23 H17 Cl2 N O | P 21 21 21 | 8.0323; 11.0444; 21.437 90; 90; 90 | 1901.7 | Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan One Substrate, Two Modes of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch in C-H Arylation Reactions. Organic letters, 2017, 19, 262-265 |
| 1544946 | CIF | C19 H25 Br N2 O3 | P 1 21 1 | 12.8335; 11.8956; 12.9307 90; 106.751; 90 | 1890.26 | Srinivas, Kyatham; Singh, Nishant; Das, Dinabandhu; Koley, Dipankar Organocatalytic, Asymmetric Synthesis of Aza-Quaternary Center of Izidine Alkaloids: Synthesis of (-)-Tricyclic Skeleton of Cylindricine. Organic letters, 2016 |
| 1544947 | CIF | C20 H26 Br N O4 | P 1 21 1 | 9.3929; 6.4813; 17.376 90; 101.247; 90 | 1037.5 | Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals. Organic letters, 2017, 19, 198-201 |
| 1544948 | CIF | C28 H29 N | P 1 21/n 1 | 15.7589; 10.4662; 26.8462 90; 102.139; 90 | 4328.9 | Yin, Jianhao; Ye, Qingyu; Hao, Wei; Du, Shuaijing; Gu, Yucheng; Zhang, Wen-Xiong; Xi, Zhenfeng Formation of Cyclopenta[c]pyridine Derivatives from 2,5-Disubstituted Pyrroles and 1,4-Dibromo-1,3-butadienes via Pyrrole-Ring One-Carbon Expansion. Organic letters, 2017, 19, 138-141 |
| 1544949 | CIF | C12 H12.5 O4.25 | C 1 2 1 | 24.87; 6.6662; 13.8578 90; 107.661; 90 | 2189.18 | Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity. Organic letters, 2016 |
| 1544950 | CIF | C64 H84 O14 | C 1 2 1 | 24.2191; 14.0289; 18.017 90; 103.396; 90 | 5955.03 | Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity. Organic letters, 2016 |
| 1544951 | CIF | C16 H22 O3 | P 31 | 14.6149; 14.6149; 6.24615 90; 90; 120 | 1155.41 | Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity. Organic letters, 2016 |
| 1544952 | CIF | C25 H23 N3 O3 S | P -1 | 8.4034; 9.8773; 14.6579 101.168; 101.636; 102.436 | 1127.36 | Zhou, Wei; Zhang, Min; Li, Hanhui; Chen, Wanzhi One-Pot Three-Component Synthesis of Enamine-Functionalized 1,2,3-Triazoles via Cu-Catalytic Azide-Alkyne Click (CuAAC) and Cu-Catalyzed Vinyl Nitrene Transfer Sequence. Organic letters, 2017, 19, 10-13 |
| 1544953 | CIF | C17 H22 N2 O3 | P 1 21 1 | 8.3665; 10.0146; 10.4237 90; 108.862; 90 | 826.47 | Royal, Titouan; Baumgartner, Yann; Baudoin, Olivier Enantioselective α-Arylation of O-Carbamates via Sparteine-Mediated Lithiation and Negishi Cross-Coupling. Organic letters, 2017, 19, 166-169 |
| 1544954 | CIF | C65 H86 Cl2 O23 | P 1 21 1 | 11.394; 19.6042; 14.8451 90; 93.367; 90 | 3310.23 | Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis. Organic letters, 2016 |
| 1544955 | CIF | C72 H88 Cl6 O22 | P 21 21 21 | 17.38343; 17.46463; 23.5998 90; 90; 90 | 7164.79 | Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis. Organic letters, 2016 |
| 1544956 | CIF | C35 H44 O11 | P 21 21 21 | 9.2287; 12.5822; 28.2476 90; 90; 90 | 3280.04 | Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis. Organic letters, 2016 |
| 1544957 | CIF | C24 H24 N2 O2 S | P 21 21 21 | 11.1304; 11.9608; 15.9285 90; 90; 90 | 2120.54 | Sengoden, Mani; Bhowmick, Abhisikta; Punniyamurthy, Tharmalingam Stereospecific Copper-Catalyzed Domino Ring Opening and sp(3) C-H Functionalization of Activated Aziridines with N-Alkylanilines. Organic letters, 2016 |
| 1544958 | CIF | C18 H30 N2 O5 | P 43 | 10.0307; 10.0307; 19.782 90; 90; 90 | 1990.4 | Song, Qiu-Yan; Yu, Hai-Tao; Zhang, Xing-Xu; Nan, Zhi-Biao; Gao, Kun Dahurelmusin A, a Hybrid Peptide-Polyketide from Elymus dahuricus Infected by the Epichloë bromicola Endophyte. Organic letters, 2016 |
| 1544959 | CIF | C22 H33 Cl2 F6 O2 Rh2 Sb | P -1 | 7.9556; 13.9015; 14.3121 69.323; 88.953; 80.298 | 1458.25 | Yuan, Chunchen; Tu, Guangliang; Zhao, Yingsheng Rhodium(III)-Catalyzed Selective Monoarylation of β or γ C(sp(3))-H Bonds Assisted by a Trimethylpyrazole Group. Organic letters, 2016 |
| 1544960 | CIF | C72 H79 O9 | I 1 2/a 1 | 30.303; 14.1499; 30.774 90; 115.729; 90 | 11887.2 | Wu, Chong; Ikejiri, Yusuke; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko Synthesis of Mono-O-alkylated Homooxacalix[3]arene and a Protection-Deprotection Strategy for Homooxacalix[3]arene. Organic letters, 2016 |
| 1544961 | CIF | C39 H54 O6 | P 1 21/c 1 | 22.6735; 14.6312; 10.9828 90; 100.386; 90 | 3583.7 | Wu, Chong; Ikejiri, Yusuke; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko Synthesis of Mono-O-alkylated Homooxacalix[3]arene and a Protection-Deprotection Strategy for Homooxacalix[3]arene. Organic letters, 2016 |
| 1544962 | CIF | C20 H18 N2 O3 | P b c a | 12.422; 14.815; 17.902 90; 90; 90 | 3294.5 | Cheng, Jian; Li, Weipeng; Duan, Yingqian; Cheng, Yixiang; Yu, Shouyun; Zhu, Chengjian Relay Visible-Light Photoredox Catalysis: Synthesis of Pyrazole Derivatives via Formal [4 + 1] Annulation and Aromatization. Organic letters, 2016 |
| 1544963 | CIF | C16 H27 N O4 | P 1 21 1 | 7.8462; 11.066; 10.6654 90; 112.684; 90 | 854.4 | Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals. Organic letters, 2017, 19, 250-253 |
| 1544964 | CIF | C17 H17 N O4 | P 21 21 21 | 5.6289; 16.3886; 17.0415 90; 90; 90 | 1572.07 | Li, Lu-Lu; Tao, Zhong-Lin; Han, Zhi-Yong; Gong, Liu-Zhu Double Chiral Induction Enables a Stereoselective Carbonyl Allylation with Simple Alkenes under the Sequential Catalysis of Palladium Complex and Chiral Phosphoric Acid. Organic letters, 2016 |
| 1544965 | CIF | C8 H12 Cl7 F6 S2 Sb | C 1 c 1 | 17.3672; 12.098; 10.2133 90; 97.836; 90 | 2125.9 | Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A. Alkyldisulfanium Salts: Isolable, Electrophilic Sulfur Reagents Competent for Polyene Cyclizations. Organic letters, 2017, 19, 2-5 |
| 1544966 | CIF | C16 H17 N O2 S | P 21 21 21 | 9.0793; 10.4132; 15.2584 90; 90; 90 | 1442.6 | An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy. Organic letters, 2017, 19, 238-241 |
| 1544967 | CIF | C20 H21 N O2 S | P 21 21 21 | 6.3817; 9.423; 28.5737 90; 90; 90 | 1718.27 | An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy. Organic letters, 2017, 19, 238-241 |
| 1544968 | CIF | C11 H7 F3 O2 | P n m a | 12.6569; 6.8697; 11.6339 90; 90; 90 | 1011.56 | Xiang, Haoyue; Zhao, Qinglan; Tang, Zhenyu; Xiao, Junan; Xia, Pengju; Wang, Chaoming; Yang, Chunhao; Chen, Xiaoqing; Yang, Hua Visible-Light-Driven, Radical-Triggered Tandem Cyclization of o-Hydroxyaryl Enaminones: Facile Access to 3-CF2 /CF3-Containing Chromones. Organic letters, 2016 |
| 1544969 | CIF | C42 H50 F12 N10 O7 P2 Ru | C 1 2/c 1 | 21.9093; 15.8193; 19.1282 90; 130.884; 90 | 5012.2 | Smith, Nichola A.; Zhang, Pingyu; Greenough, Simon E.; Horbury, Michael D.; Clarkson, Guy J.; McFeely, Daniel; Habtemariam, Abraha; Salassa, Luca; Stavros, Vasilios G.; Dowson, Christopher G.; Sadler, Peter J. Combatting AMR: photoactivatable ruthenium(ii)-isoniazid complex exhibits rapid selective antimycobacterial activity. Chemical science, 2017, 8, 395-404 |
| 1544970 | CIF | C20 H19 Fe N S2 | P 32 | 10.9404; 10.9404; 13.0885 90; 90; 120 | 1356.71 | Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1510-1519 |
| 1544971 | CIF | C14 H17 Fe N O S | P 21 21 21 | 7.6132; 10.3234; 17.0932 90; 90; 90 | 1343.4 | Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1510-1519 |
| 1544972 | CIF | C14 H15 Fe N S | P 21 21 21 | 10.2026; 15.2374; 8.0026 90; 90; 90 | 1244.09 | Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1510-1519 |
| 1544973 | CIF | C34 H54 Cl F3 Ga N3 O3 S Si2 | P 1 21/n 1 | 11.1905; 22.586; 16.2428 90; 91.695; 90 | 4103.55 | Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1406-1412 |
| 1544974 | CIF | C27 H43.85 Cl0.15 Ga N3 Si2 | P -1 | 9.3467; 9.991; 18.9915 81.5099; 79.0123; 62.4631 | 1540.13 | Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1406-1412 |
| 1544975 | CIF | C23 H25 F6 Ga N2 O6 S2 | P 1 21/c 1 | 12.2187; 15.2841; 15.7675 90; 102.522; 90 | 2874.6 | Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1406-1412 |
| 1544976 | CIF | C40 H71.5 Cl2 Ga N3 O1.75 Si2 | P 1 21/c 1 | 12.2392; 36.3301; 11.934 90; 117.532; 90 | 4705.51 | Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1406-1412 |
| 1544977 | CIF | C24.5 H30 Ga N5 | P 1 21/c 1 | 18.7477; 8.4344; 15.3559 90; 95.0657; 90 | 2418.68 | Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1406-1412 |
| 1544978 | CIF | C29 H26 N2 O2 S | P 1 21/c 1 | 9.6591; 15.8903; 16.1514 90; 91.983; 90 | 2477.5 | Chen, Wei; Bai, Ya-Li; Luo, Yong-Chun; Xu, Peng-Fei Rh(II) Catalyzed High Order Cycloadditions of 8-Azaheptafulvenes with N-Sulfonyl 1,2,3-Triazloes or α-Oxo Diazocompounds. Organic letters, 2017, 19, 364-367 |
| 1544979 | CIF | C24 H27 N3 O5 | P 1 21/c 1 | 8.6521; 31.6804; 8.7706 90; 106.944; 90 | 2299.68 | Dey, Raghunath; Banerjee, Prabal Lewis Acid Catalyzed Diastereoselective Cycloaddition Reactions of Donor-Acceptor Cyclopropanes and Vinyl Azides: Synthesis of Functionalized Azidocyclopentane and Tetrahydropyridine Derivatives. Organic letters, 2017, 19, 304-307 |
| 1544980 | CIF | C24 H19 Br O6 | P 1 21/n 1 | 15.3377; 7.8683; 16.5282 90; 100.698; 90 | 1959.98 | Kawamura, Moe; Kamo, Shogo; Azuma, Shuhei; Kubo, Konomi; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori Skeletal Rearrangements of Polycyclic α-Ketols. Organic letters, 2017, 19, 301-303 |
| 1544981 | CIF | C22 H13 Br O3 | P -1 | 6.9248; 10.1578; 12.5321 75.761; 75.876; 79.427 | 821.43 | Kawamura, Moe; Kamo, Shogo; Azuma, Shuhei; Kubo, Konomi; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori Skeletal Rearrangements of Polycyclic α-Ketols. Organic letters, 2017, 19, 301-303 |
| 1544982 | CIF | C40 H89 Ga O13 Si3 | P -1 | 18.0886; 25.2724; 26.1157 62.983; 89.953; 89.655 | 10635.5 | Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts Chem. Sci., 2017, 8, 2661 |
| 1544983 | CIF | C34 H30 Cu4 I4 N6 S4 | P 1 21/n 1 | 14.003; 8.7535; 16.9635 90; 93.969; 90 | 2074.32 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
| 1544984 | CIF | C34 H30 Cu4 I4 N6 S4 | P -1 | 8.811; 10.0997; 12.544 101.523; 102.995; 104.283 | 1014.82 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
| 1544985 | CIF | C35 H32 Cl2 Cu4 I4 N6 S4 | C 1 2/c 1 | 28.265; 16.1159; 10.1658 90; 109.463; 90 | 4366.1 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
| 1544986 | CIF | C36 H34 Cl4 Cu4 I4 N6 S4 | C 1 2/c 1 | 25.9718; 10.2757; 17.5936 90; 90.94; 90 | 4694.72 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
| 1544987 | CIF | C17 H15 Cu N5 O6 S2 | C 1 2/c 1 | 17.889; 12.2339; 20.7705 90; 101.703; 90 | 4451.18 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
| 1544988 | CIF | C34 H30 Cu2 I2 N6 S4 | P 1 21/n 1 | 10.1355; 8.3969; 21.0712 90; 95.58; 90 | 1784.8 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
| 1544989 | CIF | C17 H15 N3 S2 | P 1 21/n 1 | 10.5537; 9.2526; 16.335 90; 107.345; 90 | 1522.57 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
| 1544990 | CIF | C30 H22 N2 O2 | P 1 21/c 1 | 8.878; 12.26; 21.373 90; 95.593; 90 | 2315.3 | Zhang, Jingjing; Wu, Xia; Gao, Qinghe; Geng, Xiao; Zhao, Peng; Wu, Yan-Dong; Wu, Anxin Diamination/Oxidative Cross-Coupling/Bicyclization of Anilines and Methyl Ketones: Direct I2-Promoted Synthesis of 1,2-Fused Oxindoles. Organic letters, 2017, 19, 408-411 |
| 1544991 | CIF | C18 H17 F3 O2 S2 | P c a 21 | 11.2567; 11.6409; 27.0758 90; 90; 90 | 3548 | Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes Chem. Sci., 2017, 8, 2610 |
| 1544992 | CIF | C12 H13 F3 O2 S2 | P -1 | 5.6786; 8.4547; 15.2755 95.353; 96.231; 102.129 | 707.68 | Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes Chem. Sci., 2017, 8, 2610 |
| 1544993 | CIF | C49 H32 B2 F22 N O2 P | P 1 21/n 1 | 12.2342; 24.232; 18.5607 90; 100.311; 90 | 5413.6 | Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template Chem. Sci., 2017 |
| 1544994 | CIF | C30 H23 B F15 N | P 1 21 1 | 9.1176; 16.071; 19.36 90; 98.211; 90 | 2807.7 | Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template Chem. Sci., 2017 |
| 1544995 | CIF | C24 H24 B F10 N | P -1 | 9.6021; 9.8581; 13.16 73.124; 77.164; 81.941 | 1158.44 | Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template Chem. Sci., 2017 |
| 1544996 | CIF | C38 H25 B2 F20 N O2 | P 1 21/n 1 | 14.4987; 11.0883; 23.6041 90; 106.503; 90 | 3638.4 | Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template Chem. Sci., 2017 |
| 1544997 | CIF | C44 H24 B2 F25 N O2 | P 1 21/n 1 | 11.0648; 22.0848; 20.1904 90; 102.354; 90 | 4819.56 | Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template Chem. Sci., 2017 |
| 1544998 | CIF | C24 H24 B F10 N3 O2 | P 1 21/n 1 | 7.0432; 18.5654; 19.9939 90; 98.022; 90 | 2588.82 | Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template Chem. Sci., 2017 |
| 1544999 | CIF | C26 H28 B F10 N3 O2 | P 1 21/c 1 | 11.4759; 11.5926; 20.7695 90; 95.877; 90 | 2748.6 | Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template Chem. Sci., 2017 |
| 1545000 | CIF | C32 H30 B F10 N | P -1 | 10.9697; 11.2538; 13.9662 93.564; 101.334; 106.008 | 1612.53 | Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template Chem. Sci., 2017 |
| 1545001 | CIF | C23 H30 O6 | P 1 21 1 | 8.407; 23.1784; 11.0659 90; 100.323; 90 | 2121.41 | Qiao, Yuben; Xu, Qianqian; Hu, Zhengxi; Li, Xiao-Nian; Xiang, Ming; Liu, Junjun; Huang, Jinfeng; Zhu, Hucheng; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui Diterpenoids of the Cassane Type from Caesalpinia decapetala. Journal of natural products, 2016, 79, 3134-3142 |
| 1545002 | CIF | C30 H38 O11 | P 1 21 1 | 9.4232; 8.8867; 18.0421 90; 104.356; 90 | 1463.69 | Gao, Lei; Zhang, Rujun; Lan, Jianfeng; Ning, Ruonan; Wu, Di; Chen, Di; Zhao, Weimin β-Dihydroagarofuran-Type Sesquiterpenes from the Seeds of Celastrus monospermus and Their Lifespan-Extending Effects on the Nematode Caenorhabditis elegans. Journal of natural products, 2016, 79, 3039-3046 |
| 1545003 | CIF | C59 H90 N8 O15 | P 21 21 21 | 11.152; 16.7802; 35.226 90; 90; 90 | 6591.9 | Jang, Jun-Pil; Nogawa, Toshihiko; Futamura, Yushi; Shimizu, Takeshi; Hashizume, Daisuke; Takahashi, Shunji; Jang, Jae-Hyuk; Ahn, Jong Seog; Osada, Hiroyuki Octaminomycins A and B, Cyclic Octadepsipeptides Active against Plasmodium falciparum. Journal of natural products, 2017, 80, 134-140 |
| 1545004 | CIF | C16 H18 F2 I N O3 | P 21 21 21 | 5.1315; 14.049; 23.6852 90; 90; 90 | 1707.5 | Sun, Guodong; Wei, Mingjie; Luo, Zhonghua; Liu, Yongjun; Chen, Zhijun; Wang, Zhongqing An Alternative Scalable Process for the Synthesis of the Key Intermediate of Omarigliptin Organic Process Research & Development, 2016, 20, 2074 |
| 1545005 | CIF | C301 H348 N8 O17 Zn | P 1 c 1 | 31.7209; 19.3373; 50.4748 90; 96.0619; 90 | 30787.9 | Kohn, Daniel R.; Movsisyan, Levon D.; Thompson, Amber L.; Anderson, Harry L. Porphyrin-Polyyne [3]- and [5]Rotaxanes. Organic letters, 2017, 19, 348-351 |
| 1545006 | CIF | C252 H330 Ag28 P4 Pt S18 | C 1 2/c 1 | 50.8135; 29.3497; 49.1614 90; 110.274; 90 | 68775 | Kang, Xi; Zhou, Meng; Wang, Shuxin; Jin, Shan; Sun, Guodong; Zhu, Manzhou; Jin, Rongchao The tetrahedral structure and luminescence properties of Bi-metallic Pt1Ag28(SR)18(PPh3)4 nanocluster Chem. Sci., 2017, 8, 2581 |
| 1545007 | CIF | C52 H96 Cl2 Mg N4 O30 | P 4 | 14.1242; 14.1242; 16.617 90; 90; 90 | 3314.98 | Barker, Emily C.; Martin, Adam D.; Garvey, Christopher J.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Ogden, Mark I.; Becker, Thomas Thermal annealing behaviour and gel to crystal transition of a low molecular weight hydrogelator. Soft matter, 2017, 13, 1006-1011 |
| 1545008 | CIF | C15 H18 O9 | P 21 21 21 | 5.1645; 13.0453; 22.127 90; 90; 90 | 1490.75 | Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel α-Glucosidase Inhibitors from Malbranchea flavorosea. Journal of natural products, 2017, 80, 190-195 |
| 1545009 | CIF | C11 H13 O5.5 | C 1 2 1 | 20.881; 7.2139; 7.1436 90; 95.201; 90 | 1071.6 | Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel α-Glucosidase Inhibitors from Malbranchea flavorosea. Journal of natural products, 2017, 80, 190-195 |
| 1545010 | CIF | C72 H50 F12 | C 1 2/c 1 | 21.1206; 21.8158; 15.5581 90; 111.402; 90 | 6674.3 | Byun, Yearin; Cho, Moses; Kim, Daeok; Jung, Yousung; Coskun, Ali Edge-Functionalized Graphene Nanoribbon Frameworks for the Capture and Separation of Greenhouse Gases Macromolecules, 2017 |
| 1545011 | CIF HKL Paper | C12 H9 Br N2 O2 S | P 1 21/c 1 | 9.12236; 18.7734; 7.70271 90; 108.576; 90 | 1250.42 | Sheikh, Md. Chanmiya; Yoshimura, Toshiaki; Fujii, Takayoshi; Miyatake, Ryuta <i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide IUCrData, 2017, 2, x162033 |
| 1545012 | CIF HKL Paper | C18 H25 N O4 | P 1 21/c 1 | 10.3476; 10.7877; 16.922 90; 106.214; 90 | 1813.8 | Janzen, Daron E.; Majerle, Rita S.; Novosad, Katie L. <i>N</i>,<i>N</i>-Dibutylanilinium hydrogen squarate IUCrData, 2017, 2, x162065 |
| 1545013 | CIF HKL | C14 H12 I N O3 S | P -1 | 11.0543; 12.1612; 12.3464 119.14; 94.668; 93.182 | 1436.2 | Naveen, S.; Suresha, E.; Sudha, A. G.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M. 4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide IUCrData, 2017, 2, x162030 |
| 1545014 | CIF HKL Paper | C19 H20 N4 O S | P 1 21/c 1 | 10.4024; 17.797; 10.2829 90; 112.908; 90 | 1753.5 | Xu, Jianchao; Wang, Hewen 3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one IUCrData, 2017, 2, x162001 |
| 1545015 | CIF HKL Paper | C10 H10 Co F12 O8 | P 1 21/c 1 | 11.139; 6.979; 12.546 90; 102.221; 90 | 953.2 | Tominaga, Takumi; Mochida, Tomoyuki <i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) dihydrate IUCrData, 2017, 2, x170002 |
| 1545016 | CIF HKL Paper | C14 H18 Cl N3 O S | P -1 | 5.9923; 11.0704; 12.1128 107.981; 91.3414; 97.2061 | 756.6 | Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R. (<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide IUCrData, 2017, 2, x161997 |
| 1545017 | CIF HKL Paper | C15 H16 F N O2 S2 | P -1 | 7.1284; 12.2818; 18.3709 75.625; 88.538; 86.553 | 1555.1 | El-Khatatneh, Nasseem; Chandra; Rajesh, B. M.; Kumar, Shamantha; Doreswamy, B. H.; Mahendra, M. (6-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate IUCrData, 2017, 2, x162069 |
| 1545018 | CIF HKL Paper | C17 H16 N2 S | P 21 21 21 | 8.4001; 9.6239; 18.0037 90; 90; 90 | 1455.5 | El Ghayati, Lhoussaine; Hamou Ahabchane, Noureddine; Lamine Doumbia, Mohamadou; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T. 1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione IUCrData, 2017, 2, x161998 |
| 1545019 | CIF HKL Paper | C14 H14 N2 O | P c a 21 | 23.44; 4.6307; 10.6408 90; 90; 90 | 1155 | Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R. (<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol IUCrData, 2017, 2, x162009 |
| 1545020 | CIF | C22 H22 O5 | P 1 | 5.5512; 8.9374; 19.4754 102.143; 93.557; 90.362 | 942.61 | Fu, Kai; Zhang, Jingchuan; Lin, Lili; Li, Jun; Liu, Xiaohua; Feng, Xiaoming Chiral N,N′-Dioxide/Lanthanide(III) Complex Catalyzed Asymmetric Bisvinylogous Mukaiyama Aldol Reactions Organic Letters, 2017 |
| 1545021 | CIF HKL | C21 H21 O3 P Se | P 1 21/n 1 | 8.351; 27.156; 8.545 90; 99.414; 90 | 1911.7 | Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E. Tris(2-methoxyphenyl)phosphine selenide IUCrData, 2017, 2, x170009 |
| 1545022 | CIF | Fe3 Na7 O28 P8 | C 1 2/c 1 | 9.506; 8.333; 27.732 90; 93.33; 90 | 2193 | Masquelier, C; d Yvoire, F.; Rodier, N. Crystal structure of the sodium ion conductor alpha-Na7Fe3(P2O7)4: evidence for a long-range ordering of the Na+ ions Journal of Solid State Chemistry, 1991, 95, 156-167 |
| 1545023 | CIF | Fe3 Na7 O28 P8 | C 1 2/c 1 | 28.519; 8.333; 29.834 90; 111.88; 90 | 6579 | Masquelier, C; d Yvoire, F.; Rodier, N. Crystal structure of the sodium ion conductor alpha-Na7Fe3(P2O7)4: evidence for a long-range ordering of the Na+ ions Journal of Solid State Chemistry, 1991, 95, 156-167 |
| 1545024 | CIF | Ba Na O4 P | P -3 m 1 | 5.617; 5.617; 7.26 90; 90; 120 | 198.37 | Launay, S.; Mahe, P.; Quarton, M. Polymorphisme et structure cristalline du monophosphate de sodium et barium Materials Research Bulletin, 1992, 27, 1347-1353 |
| 1545025 | CIF | C45 H26 Cl N4 S2 | C 1 2/c 1 | 30.0933; 8.439; 26.6268 90; 95.566; 90 | 6730.2 | Okazaki, Masato; Takeda, Youhei; Data, Przemyslaw; Pander, Piotr; Higginbotham, Heather; Monkman, Andrew P.; Minakata, Satoshi Thermally activated delayed fluorescent phenothiazine–dibenzo[a,j]phenazine–phenothiazine triads exhibiting tricolor-changing mechanochromic luminescence Chem. Sci., 2017, 8, 2677 |
| 1545026 | CIF | C10 H8 S2 | P 1 21/c 1 | 5.81321; 7.5432; 10.2777 90; 93.249; 90 | 449.95 | Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene Chem. Sci., 2017, 8, 2629 |
| 1545027 | CIF | C18 H10 S4 | P 1 21/n 1 | 10.91901; 8.76755; 15.8755 90; 93.1272; 90 | 1517.55 | Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene Chem. Sci., 2017, 8, 2629 |
| 1545028 | CIF | C18 H12 S4 | P 1 21/n 1 | 9.316; 9.10329; 9.6346 90; 110.853; 90 | 763.55 | Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene Chem. Sci., 2017, 8, 2629 |
| 1545029 | CIF | C20 H24 N O5.5 P | P 1 | 8.8456; 13.4959; 17.587 92.181; 98.685; 106.652 | 1981.1 | Suneja, Arun; Unhale, Rajshekhar A.; Singh, Vinod K. Enantioselective Hydrophosphonylation of in Situ Generated N-Acyl Ketimines Catalyzed by BINOL-Derived Phosphoric Acid. Organic letters, 2017, 19, 476-479 |
| 1545030 | CIF | C11 H10 Cl N O2 S | P -1 | 5.6654; 8.296; 13.194 83.624; 85.285; 79.966 | 605.6 | Modi, Anju; Ali, Wajid; Patel, Bhisma K. Organocatalytic Regioselective Concomitant Thiocyanation and Acylation of Oxiranes Using Aroyl Isothiocyanates. Organic letters, 2017 |
| 1545031 | CIF | C17 H15 N O2 S | P 1 21/n 1 | 8.2271; 10.0704; 19.1028 90; 98.364; 90 | 1565.84 | Modi, Anju; Ali, Wajid; Patel, Bhisma K. Organocatalytic Regioselective Concomitant Thiocyanation and Acylation of Oxiranes Using Aroyl Isothiocyanates. Organic letters, 2017 |
| 1545032 | CIF | D0.34 Fe0.17 Mg1.72 O4 Si0.97 | F d -3 m | 8.09657; 8.09657; 8.09657 90; 90; 90 | 530.766 | Purevjav, N.; Okuchi, T.; Tomioka, N.; Abe, J.; Harjo, S. Hydrogen site analysis of hydrous ringwoodite in mantle transition zone by pulsed neutron diffraction Geophysical Research Letters, 2014, 41, 6718-6724 |
| 1545033 | CIF HKL Paper | C18 H18 N2 O5 | P 1 21/c 1 | 10.1622; 19.1448; 8.4373 90; 102.425; 90 | 1603.06 | Ranjani, T. Siva; Poomathi, N.; Vimala, G.; Perumal, Paramasivam T.; Murugesan, K. Sakthi 1-Cyclohexyl-5-(2-hydroxybenzoyl)-3-nitropyridin-2(1<i>H</i>)-one IUCrData, 2017, 2, x170004 |
| 1545034 | CIF HKL Paper | C9 H7 N O2 | P 1 21/n 1 | 9.9869; 5.3008; 13.9874 90; 93.106; 90 | 739.39 | Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Ouasif, Latifa; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T. 3-Phenylisoxazolin-5-one: a redetermination IUCrData, 2017, 2, x170032 |
| 1545035 | CIF HKL Paper | C29 H24 N2 O S | P -1 | 8.7383; 14.1443; 19.2405 90.732; 92.181; 91.394 | 2375.4 | Akrad, Rachida; Mague, Joel T.; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Ramli, Youssef 1-Benzyl-2-benzylsulfanyl-4,4-diphenyl-4,5-dihydro-1<i>H</i>-imidazol-5-one IUCrData, 2017, 2, x170033 |
| 1545036 | CIF HKL Paper | C26 H23 N5 O5 S | P 1 21/n 1 | 13.2381; 9.9265; 19.0348 90; 100.693; 90 | 2457.89 | Seethalakshmi, P.; Palanivel, C. 1-Allyl-3'-phenyl-6'<i>H</i>-spiro[indoline-3,4'-isoxazolo[4',5':5,6]pyrido[2,3-<i>d</i>]pyrimidine]-2,5',7'(8'<i>H</i>,9'<i>H</i>)-trione dimethyl sulfoxide monosolvate IUCrData, 2017, 2, x162044 |
| 1545037 | CIF HKL Paper | C14 H21 N5 S | P 1 21/c 1 | 20.7954; 6.2107; 11.7871 90; 90.653; 90 | 1522.25 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Abdel-Rahman, Hamdy M.; Hawaiz, Farouq E. 4-Cyclohexyl-3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione IUCrData, 2017, 2, x170020 |
| 1545038 | CIF HKL | C33 H35 Mo O3 P | P -1 | 10.9903; 11.2364; 14.1608 89.737; 78.229; 60.997 | 1488.2 | Whited, Matthew T.; Ruffer, Eli J.; Zhang, Jia; Rabaey, Dominique J.; Janzen, Daron E. <i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]molybdenum(II) IUCrData, 2017, 2, x170042 |
| 1545039 | CIF HKL | C13 H9 Cl I N O3 S | C 1 2/c 1 | 18.1163; 13.3947; 12.3002 90; 104.223; 90 | 2893.3 | Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Warad, Ismail <i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide IUCrData, 2017, 2, x170025 |
| 1545040 | CIF HKL Paper | C17 H12 Cl2 O2 S | C 1 2/c 1 | 19.3473; 9.9623; 18.5845 90; 116.194; 90 | 3214.2 | Ravi, A. J.; Vinayaka, A. C.; Roopashree, K. R.; Sadashiva, M. P.; Devarajegowda., H. C. (<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione IUCrData, 2017, 2, x162047 |
| 1545041 | CIF HKL Paper | C16 H17 Cl O4 | P 1 21/c 1 | 10.4412; 7.6959; 20.2651 90; 102.311; 90 | 1590.95 | Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P. Ethyl 6-(4-chlorophenyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate IUCrData, 2017, 2, x170034 |
| 1545042 | CIF HKL Paper | C16 H11 F N2 O | P 1 21/c 1 | 13.211; 13.685; 6.858 90; 92.971; 90 | 1238.2 | Bougueria, Hassiba; Chetioui, Souheyla; Mili, Assia; eddine Bouaoud, Salah; Merazig, Hocine (<i>E</i>)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium IUCrData, 2017, 2, x170039 |
| 1545043 | CIF HKL Paper | C11 H13 Cl2 N O | C 1 c 1 | 14.7725; 9.3588; 9.8079 90; 116.308; 90 | 1215.53 | Seethalakshmi, P.; Palanivel, C. 4-[Bis(2-chloroethyl)amino]benzaldehyde IUCrData, 2017, 2, x162043 |
| 1545044 | CIF HKL Paper | C11 H8 F N O2 | P n a 21 | 31.531; 4.2752; 14.108 90; 90; 90 | 1901.8 | Qachchachi, Fatim-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ouzidan, Younes; Essassi, El Mokhtar 5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione IUCrData, 2017, 2, x170028 |
| 1545045 | CIF | C55 H23 Co F28 N4 O9 P3 Yb | C 1 2/c 1 | 24.588; 10.147; 24.582 90; 92.11; 90 | 6129 | Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields Chem. Sci., 2017, 8, 2702 |
| 1545046 | CIF | C57 H34 Cl5 Co F20 N4 O11 P3 Yb | C m c m | 15.8901; 19.2041; 22.9477 90; 90; 90 | 7002.6 | Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields Chem. Sci., 2017, 8, 2702 |
| 1545047 | CIF | C55 H25 Co D18 F8 N4 O9 P3 Yb | P -1 | 12.2948; 14.0793; 16.6204 72.8693; 73.873; 77.72 | 2614.22 | Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields Chem. Sci., 2017, 8, 2702 |
| 1545048 | CIF | H0.162 Mg1.8965 O4 Si1.001 | I m m a | 5.6865; 11.515; 8.2545 90; 90; 90 | 540.51 | Purevjav, N.; Okuchi, T.; Tomioka, N.; Wang, X.; Hoffmann, C. Quantitative analysis of hydrogen sites and occupancy in deep mantle hydrous wadsleyite using single crystal neutron diffraction : Sample at 295 K Scientific Reports, 2016, 6, 34988-- |
| 1545049 | CIF | Cs H4 O12 P2 V2 | P 1 21/n 1 | 7.22; 18.56; 8.195 90; 114.01; 90 | 1003.1 | Haushalter, Robert C.; Wang, Zhanwen; Thompson, Mark E.; Zubieta, Jon; O-Connor, Charles J. Hydrothermal synthesis, crystal structure, and magnetic properties of Cs[(V2O3)(HPO4)2(H2O)], a mixed-valence vanadium (IV, V) hydrogen phosphate with a one-dimensional (-V(IV)-O-V(V)-0) chain of corner-sharing VO6 octahedra Journal of Solid State Chemistry, 1994, 109, 259-264 |
| 1545050 | CIF | C49 H42 F24 N8 O4 P4 | P 1 21/n 1 | 10.6431; 41.576; 13.8546 90; 110.763; 90 | 5732.5 | Wang, Yuping; Sun, Junling; Liu, Zhichang; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser Radically promoted formation of a molecular lasso Chem. Sci., 2017, 8, 2562 |
| 1545051 | CIF | Cu O7 P2 Sr | P 1 21/n 1 | 12.455; 8.129; 5.369 90; 90.59; 90 | 543.56 | Moqine, A.; Boukhari, A.; Elammari, L.; Durand, J. Structure cristalline du diphosphate SrCuP2O7 Journal of Solid State Chemistry, 1993, 107, 368-372 |
| 1545052 | CIF | Al As2 Na O7 | P 1 21/c 1 | 6.9114; 8.1345; 9.5446 90; 107.51; 90 | 511.74 | Driss, Ahmed; Jouini, Tahar Structure cristalline de NaAlAs2O7 Journal of Solid State Chemistry, 1994, 112, 277-280 |
| 1545053 | CIF | Al Ti | P 4/m m m | 4.01867; 4.01867; 4.06542 90; 90; 90 | 65.655 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 1545054 | CIF | Al Ti3 | P 63/m m c | 5.76803; 5.76803; 4.64241 90; 90; 120 | 133.761 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 1545055 | CIF | C18 H18 N2 O4 | P 1 21 1 | 15.1202; 5.6812; 19.0459 90; 97.578; 90 | 1621.77 | Berthet, Mathéo; Legrand, Baptiste; Martinez, Jean; Parrot, Isabelle A General Approach to the Aza-Diketomorpholine Scaffold Organic Letters, 2017 |
| 1545056 | CIF HKL Paper | C30 H16 Hg2 N6 S4 | P 1 21/c 1 | 6.9175; 17.6267; 12.0029 90; 91.017; 90 | 1463.32 | Tan, Shuzhi; Liu, Leili; Du, Yongli <i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)] IUCrData, 2017, 2, x170059 |
| 1545057 | CIF HKL | C15 H15 F O3 | P 1 21/c 1 | 7.0373; 20.7068; 8.4725 90; 92.088; 90 | 1233.79 | Ayswariya, I.; Rajalakshmi, P.; Krishnakumar, R.V.; Srinivasan, N. 9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane] IUCrData, 2017, 2, x170045 |
| 1545058 | CIF | Fe Na O7 P2 | P 1 21/c 1 | 7.298; 7.847; 9.536 90; 111.85; 90 | 506.9 | Moya-Pizarro, Tomas; Salmon, Roger; Fournes, Leopold; Le Flem, Gilles; Wanklyn, Barbara; Hagenmuller, Paul Etudes cristallographiques magnetique et par resonance Mossbauer de la variete de haute temperature du pyrophosphate NaFeP2O7 Journal of Solid State Chemistry, 1984, 53, 387-397 |
| 1545059 | CIF | As H6 N O4 | I -4 2 d | 7.674; 7.674; 7.709 90; 90; 90 | 454 | Fukami, Takanori Refinement of the crystal structure of NH4H2AsO4 above and below antiferroelectric phase-transition temperature Journal of the Physical Society of Japan, 1989, 58, 3429-3430 |
| 1545060 | CIF | As H6 N O4 | P 21 21 21 | 7.689; 7.719; 7.654 90; 90; 90 | 454.3 | Fukami, Takanori Refinement of the crystal structure of NH4H2AsO4 above and below antiferroelectric phase-transition temperature Journal of the Physical Society of Japan, 1989, 58, 3429-3430 |
| 1545061 | CIF | Bi3.47 Na0.39 O7 | F d -3 m | 10.943; 10.943; 10.943 90; 90; 90 | 1310.4 | Kinomura, N.; Hosoda, M.; Kumada, N.; Kojima, H. Preparation of pyrochlore type Na0.39Bi3.47O7 containing Bi5+ by low temperature hydrothermal reaction Journal of the Ceramic Society of Japan, 1993, 101, 966-968 |
| 1545062 | CIF | Bi2 Ce0.1 O9 Si0.286 Sr0.9 Ta1.714 | A 21 a m | 5.5177; 5.5201; 25.0229 90; 90; 90 | 762.15 | Idemoto, Y.; Taniyama, S. Changes in crystal structure and ferroelectric properties of Sr-Ce-Bi-Ta-Si-O ferroelectric material by Ce substitution, Bi-Si-O addition Journal of the Ceramic Society of Japan, 2007, 115, 960-966 |
| 1545063 | CIF | Ca0.91 Cu O2 Sr0.09 | P 4/m m m | 3.8581; 3.8581; 3.1997 90; 90; 90 | 47.627 | Yamane, H.; Miyazaki, Y.; Hirai, T. Preparation and crystal structure of Sr0.09Ca0.91CuO2 Journal of the Ceramic Society of Japan, 1989, 97, 143-147 |
| 1545064 | CIF | Hf O2 | P b c m | 5.0073; 5.2276; 5.058 90; 90; 90 | 132.399 | Suyama, R.; Horiuchi, H.; Kume, S. Structural refinements of ZrO2 and HfO2 treated at 600 C * 6 GPa Yogyo-Kyokai-Shi, 1987, 95, 567-568 |
| 1545065 | CIF | O2 Zr | P b c m | 5.0367; 5.2546; 5.0855 90; 90; 90 | 134.592 | Suyama, R.; Horiuchi, H.; Kume, S. Structural refinements of ZrO2 and HfO2 treated at 600 C * 6 GPa Yogyo-Kyokai-Shi, 1987, 95, 567-568 |
| 1545066 | CIF | C14 H17 N O4 | P 1 21 1 | 9.3634; 5.3559; 13.9632 90; 107.183; 90 | 668.99 | Lee, Melissa; Sanford, Melanie S. Remote C(sp(3))-H Oxygenation of Protonated Aliphatic Amines with Potassium Persulfate. Organic letters, 2017, 19, 572-575 |
| 1545067 | CIF | C16 H18 Cl N3 O | P 21 21 21 | 8.5445; 9.1514; 19.7296 90; 90; 90 | 1542.74 | Maury, Julien; Zawodny, Wojciech; Clayden, Jonathan Stereospecific Intramolecular Arylation of 2- and 3-Pyridyl Substituted Alkylamines via Configurationally Stable α-Pyridyl Organolithiums. Organic letters, 2017, 19, 472-475 |
| 1545068 | CIF | Ge3 Li2 Ni O8 | P 43 3 2 | 8.181; 8.181; 8.181 90; 90; 90 | 547.544 | Hirota, K.; Ohtani, M.; Mochida, N.; Ohtsuka, A. Formation and structure of spinel solid solution in Li2O-MO-GeO2 (M=Zn,Co,Ni) system Journal of the Ceramic Society of Japan, 1988, 96, 92-96 |
| 1545069 | CIF | Ge3 Li2 O8 Zn | P 43 3 2 | 8.193; 8.193; 8.193 90; 90; 90 | 549.957 | Hirota, K.; Ohtani, M.; Mochida, N.; Ohtsuka, A. Formation and structure of spinel solid solution in Li2O-MO-GeO2 (M=Zn,Co,Ni) system Journal of the Ceramic Society of Japan, 1988, 96, 92-96 |
| 1545070 | CIF | Co Ge3 Li2 O8 | P 43 3 2 | 8.204; 8.204; 8.204 90; 90; 90 | 552.175 | Hirota, K.; Ohtani, M.; Mochida, N.; Ohtsuka, A. Formation and structure of spinel solid solution in Li2O-MO-GeO2 (M=Zn,Co,Ni) system Journal of the Ceramic Society of Japan, 1988, 96, 92-96 |
| 1545071 | CIF | Na2 O24 P6 Pb8 | P 63/m | 9.721; 9.721; 7.186 90; 90; 120 | 588.1 | Toumi, M.; Mhiri, T. Crystal structure and spectroscopic studies of Na2Pb8(PO4)6 Journal of the Ceramic Society of Japan, 2008, 116, 904-908 |
| 1545072 | CIF | Li Mn0.95 Ni0.05 O2 | P m m n | 4.54; 2.79; 5.7 90; 90; 90 | 72 | Idemoto, Y.; Shimizu, D.; Koura, N.; Takahashi, Y.; Akimoto, J. Electronic structure of LiMn1-xMxO2 (M=Mn,Co,Ni,Zn) as a cathode active material for Li secondary battery by MEM/Rietveld analysis and first principles calculations Journal of the Ceramic Society of Japan, 2006, 114, 849-852 |
| 1545073 | CIF | Ag Ca O4 V | P n m a | 7.03255; 5.86684; 9.3856 90; 90; 90 | 387.239 | PANalytical AgCaVO4 : structure solution from a benchtop X-ray powder diffractometer Aeris Research Edition, 2017, 1, 1-2 |
| 1545074 | CIF | Fe2 O5 P | I 41/a m d :2 | 5.336; 5.336; 12.457 90; 90; 90 | 354.69 | Ijjaali, M.; Malaman, B.; Gleitzer, C.; Warner, J. K.; Hriljac, J. A.; Cheetham, A. K. Stability, structure refinement, and magnetic properties of beta-Fe2(PO4)O Journal of Solid State Chemistry, 1990, 86, 195-205 |
| 1545075 | CIF | Fe2 O5 P | I 41/a m d :2 | 5.3573; 5.3573; 12.5046 90; 90; 90 | 358.89 | Ijjaali, M.; Malaman, B.; Gleitzer, C.; Warner, J. K.; Hriljac, J. A.; Cheetham, A. K. Stability, structure refinement, and magnetic properties of beta-Fe2(PO4)O Journal of Solid State Chemistry, 1990, 86, 195-205 |
| 1545076 | CIF | Fe2 O5 P | I 41/a m d :2 | 5.3417; 5.3417; 12.4846 90; 90; 90 | 356.23 | Ijjaali, M.; Malaman, B.; Gleitzer, C.; Warner, J. K.; Hriljac, J. A.; Cheetham, A. K. Stability, structure refinement, and magnetic properties of beta-Fe2(PO4)O Journal of Solid State Chemistry, 1990, 86, 195-205 |
| 1545077 | CIF | Mg0.4 O2.9 Sr Ta0.6 | P -3 m 1 | 5.6581; 5.6581; 6.941 90; 90; 120 | 192.44 | Kato, S.; Ohmori, E.; Suzuki, Y.; Ohshima, Y.; Sugai, M.; Takazawa, H.; Endo, T. Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz Journal of the Ceramic Society of Japan, 1999, 107, 209-214 |
| 1545078 | CIF | La0.05 Mg0.4 O2.925 Sr0.95 Ta0.6 | P -3 m 1 | 5.654; 5.654; 6.926 90; 90; 120 | 191.75 | Kato, S.; Ohmori, E.; Suzuki, Y.; Ohshima, Y.; Sugai, M.; Takazawa, H.; Endo, T. Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz Journal of the Ceramic Society of Japan, 1999, 107, 209-214 |
| 1545079 | CIF | La Mg O6 Sr Ta | F m -3 m | 7.9788; 7.9788; 7.9788 90; 90; 90 | 507.94 | Kato, S.; Ohmori, E.; Suzuki, Y.; Ohshima, Y.; Sugai, M.; Takazawa, H.; Endo, T. Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz Journal of the Ceramic Society of Japan, 1999, 107, 209-214 |
| 1545080 | CIF | La0.6 Mg O5.8 Sr1.4 Ta | F m -3 m | 7.9804; 7.9804; 7.9804 90; 90; 90 | 508.246 | Kato, S.; Ohmori, E.; Suzuki, Y.; Ohshima, Y.; Sugai, M.; Takazawa, H.; Endo, T. Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz Journal of the Ceramic Society of Japan, 1999, 107, 209-214 |
| 1545081 | CIF | La0.8 Mg O5.9 Sr1.2 Ta | F m -3 m | 7.9771; 7.9771; 7.9771 90; 90; 90 | 507.616 | Kato, S.; Ohmori, E.; Suzuki, Y.; Ohshima, Y.; Sugai, M.; Takazawa, H.; Endo, T. Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz Journal of the Ceramic Society of Japan, 1999, 107, 209-214 |
| 1545082 | CIF | La0.4 Mg O5.7 Sr1.6 Ta | F m -3 m | 7.9835; 7.9835; 7.9835 90; 90; 90 | 508.839 | Kato, S.; Ohmori, E.; Suzuki, Y.; Ohshima, Y.; Sugai, M.; Takazawa, H.; Endo, T. Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz Journal of the Ceramic Society of Japan, 1999, 107, 209-214 |
| 1545083 | CIF | La3 Li6.5 O12 Ta0.5 Zr1.5 | I a -3 d | 12.9481; 12.9481; 12.9481 90; 90; 90 | 2170.79 | Hamao, N.; Kataoka, K.; Kijima, N.; Akimoto, J. Synthesis, crystal structure and conductive properties of garnet-type lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6) Journal of the Ceramic Society of Japan, 2016, 124, 678-683 |
| 1545084 | CIF | La3 Li6.7 O12 Ta0.3 Zr1.7 | I a -3 d | 12.9598; 12.9598; 12.9598 90; 90; 90 | 2176.68 | Hamao, N.; Kataoka, K.; Kijima, N.; Akimoto, J. Synthesis, crystal structure and conductive properties of garnet-type lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6) Journal of the Ceramic Society of Japan, 2016, 124, 678-683 |
| 1545085 | CIF | La3 Li6.5 O12 Ta0.5 Zr1.5 | I 41/a c d | 13.101; 13.101; 12.72 90; 90; 90 | 2183.2 | Hamao, N.; Kataoka, K.; Kijima, N.; Akimoto, J. Synthesis, crystal structure and conductive properties of garnet-type lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6) Journal of the Ceramic Society of Japan, 2016, 124, 678-683 |
| 1545086 | CIF | La3 Li6.7 O12 Ta0.3 Zr1.7 | I 41/a c d | 13.1023; 13.1023; 12.6896 90; 90; 90 | 2178.4 | Hamao, N.; Kataoka, K.; Kijima, N.; Akimoto, J. Synthesis, crystal structure and conductive properties of garnet-type lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6) Journal of the Ceramic Society of Japan, 2016, 124, 678-683 |
| 1545087 | CIF | C36 H31 N O | P 1 21/c 1 | 11.0097; 13.4734; 18.182 90; 97.777; 90 | 2672.28 | Tang, Junbin; Li, Shiqing; Liu, Zheng; Zhao, Yinsong; She, Zhijie; Kadam, Vilas D.; Gao, Ge; Lan, Jingbo; You, Jingsong Cascade C-H Annulation of Aldoximes with Alkynes Using O2 as the Sole Oxidant: One-Pot Access to Multisubstituted Protoberberine Skeletons. Organic letters, 2017, 19, 604-607 |
| 1545088 | CIF | Ba Cu3 O6.48 Sr Y | P 4/m m m | 3.8312; 3.8312; 11.6015 90; 90; 90 | 170.288 | Hayakawa, H.; Akiba, E.; Mizuno, M.; Shin, S.; Ono, S.; Hara, H.; Ohno, E. The relation between superconductivity and crystal structure on YBa2-xSrxCu3O7-d (x=0-1.2) Journal of the Ceramic Society of Japan, 1990, 98, 174-181 |
| 1545089 | CIF | Ba Cu3 O7.03 Sr Y | P m m m | 3.8518; 3.7886; 11.5521 90; 90; 90 | 168.579 | Hayakawa, H.; Akiba, E.; Mizuno, M.; Shin, S.; Ono, S.; Hara, H.; Ohno, E. The relation between superconductivity and crystal structure on YBa2-xSrxCu3O7-d (x=0-1.2) Journal of the Ceramic Society of Japan, 1990, 98, 174-181 |
| 1545090 | CIF | C22 H29 F N3 O9 P | P 21 21 21 | 11.355; 13.612; 16.835 90; 90; 90 | 2602.1 | McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana The protecting-group free selective 3′-functionalization of nucleosides Chem. Sci., 2017, 8, 2804 |
| 1545091 | CIF | C18 H17 F5 N O5 P | P 1 | 5.2533; 12.0015; 16.3874 74.879; 84.088; 80.148 | 980.85 | McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana The protecting-group free selective 3′-functionalization of nucleosides Chem. Sci., 2017, 8, 2804 |
| 1545092 | CIF | C16 H15 Br O2 | C 1 2 1 | 19.2401; 7.48163; 19.9656 90; 104.461; 90 | 2782.94 | Kossler, D.; Cramer, N. Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions Chem. Sci., 2017, 8, 1862 |
| 1545093 | CIF | C54 H51 Cl O2 Ru | P 1 | 10.9092; 12.5543; 15.2599 86.71; 83.989; 89.249 | 2074.99 | Kossler, D.; Cramer, N. Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions Chem. Sci., 2017, 8, 1862 |
| 1545094 | CIF | C46 H50 Br Cl2 N3 O2 P2 Pd | P 21 21 21 | 12.7416; 15.3629; 22.5851 90; 90; 90 | 4420.99 | Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T. A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions Chem. Sci., 2017, 8, 2841 |
| 1545095 | CIF | C18 H28 Br2 N2 P2 Pd | P 21 21 21 | 7.6802; 15.4523; 18.383 90; 90; 90 | 2181.63 | Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T. A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions Chem. Sci., 2017, 8, 2841 |
| 1545096 | CIF | C25 H32 Br N3 O P2 Pd | C 1 2 1 | 23.434; 10.7208; 10.6091 90; 95.3448; 90 | 2653.7 | Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T. A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions Chem. Sci., 2017, 8, 2841 |
| 1545097 | CIF | C26 H24 N2 O6 S2 | P 21 21 21 | 8.7715; 15.9157; 36.3389 90; 90; 90 | 5073.1 | Liu, Ren-Rong; Hu, Jiang-Ping; Hong, Jian-Jun; Lu, Chuan-Jun; Gao, Jian-Rong; Jia, Yi-Xia Enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines: access to polysubstituted azetidines bearing quaternary stereocenters Chem. Sci., 2017, 8, 2811 |
| 1545098 | CIF | C17 H14 S2 | C 1 c 1 | 15.2642; 15.1883; 6.0321 90; 96.7418; 90 | 1388.8 | Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials, 2017, 29, 1245 |
| 1545099 | CIF | C16 H12 S2 | P 1 21 1 | 9.1532; 6.0178; 11.7576 90; 94.1913; 90 | 645.9 | Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials, 2017, 29, 1245 |
| 1545100 | CIF | C50 H58 N2 O4 Zn2 | P 1 21/c 1 | 11.954; 9.072; 19.907 90; 101.38; 90 | 2116.4 | Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes. Inorganic chemistry, 2017, 56, 1349-1365 |
| 1545101 | CIF | C59 H70 N2 O4 Zn2 | C 1 2/c 1 | 23.384; 13.614; 16.424 90; 105.23; 90 | 5045 | Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes. Inorganic chemistry, 2017, 56, 1349-1365 |
| 1545102 | CIF | C36 H44 N2 O2 Zn | P b c a | 14.482; 15.42; 27.296 90; 90; 90 | 6096 | Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes. Inorganic chemistry, 2017, 56, 1349-1365 |
| 1545103 | CIF | C36 H56 N2 O2 Zn | P -1 | 5.986; 12.333; 23.801 102.2; 96.27; 96.31 | 1691.1 | Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes. Inorganic chemistry, 2017, 56, 1349-1365 |
| 1545104 | CIF | C20.33 H40.67 B6 Cl0.67 Ir2 | P -1 | 12.7437; 15.8667; 21.9272 74.729; 86.099; 68.806 | 3986 | Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes. Inorganic chemistry, 2017, 56, 1524-1533 |
| 1545105 | CIF | C30 H49 B5 Cl Ir3 | P b c n | 18.0776; 23.0282; 16.1926 90; 90; 90 | 6740.9 | Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes. Inorganic chemistry, 2017, 56, 1524-1533 |
| 1545106 | CIF | C41 H82 B20 Cl2 Ir4 | C 1 2/c 1 | 33.2362; 10.6642; 16.7899 90; 111.793; 90 | 5525.7 | Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes. Inorganic chemistry, 2017, 56, 1524-1533 |
| 1545107 | CIF | C20 H38 B10 Ir2 O2 | P n m a | 16.6847; 14.6954; 10.9866 90; 90; 90 | 2693.79 | Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes. Inorganic chemistry, 2017, 56, 1524-1533 |
| 1545108 | CIF | C38 H54 Au B6 Co2 P | P 1 21/c 1 | 19.911; 12.631; 17.268 90; 103.586; 90 | 4221.3 | Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes. Inorganic chemistry, 2017, 56, 1524-1533 |
| 1545109 | CIF | C15 H16 N4 O4 S | P -1 | 7.9986; 10.37; 11.701 106.83; 106.02; 104.49 | 833.4 | Chen, Lai; Zhu, Yu-Jie; Fan, Zhijin; Guo, Xiao-Feng; Zhang, Zhi-Ming; Xu, Jing-Hua; Song, Ying-Qi; Morzherin, Yury Yurievich; Belskaya, Nataliya P.; Bakulev, Vasiliy A. Synthesis of 1,2,3-Thiadizole and Thiazole Based Strobilurins as Potent Fungicide Candidates. Journal of agricultural and food chemistry, 2017 |
| 1545110 | CIF | C27 H29 N2 O4 S | P -1 | 9.7966; 10.1428; 13.7518 106.645; 99.595; 109.141 | 1184.44 | Lu, Yandong; Yuan, Haosen; Zhou, Shijie; Luo, Tuoping Total Syntheses of (-)-Hibiscone C and Lysergine: A Cyclization/Fragmentation Strategy. Organic letters, 2017, 19, 620-623 |
| 1545111 | CIF | Ba | P 21/b 1 1 | 11.608; 11.634; 4.634 90; 90; 90 | 625.81 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545112 | CIF | Ba | P 21/b 1 1 | 11.6146; 11.6256; 4.6341 90; 90; 90 | 625.727 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545113 | CIF | Ba | P 21/b 1 1 | 11.5313; 11.6527; 4.6109 90; 90; 90 | 619.57 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545114 | CIF | Ba | P 21/b 1 1 | 11.5457; 11.5882; 4.599 90; 90; 90 | 615.318 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545115 | CIF | Ba | P 21/b 1 1 | 11.4996; 11.5527; 4.6035 90; 90; 90 | 611.582 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545116 | CIF | Ba | P 21/b 1 1 | 11.439; 11.53; 4.5937 90; 90; 90 | 605.9 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545117 | CIF HKL | C20 H14 Br2 N2 O2 | P b c a | 7.4379; 18.736; 25.4469 90; 90; 90 | 3546.2 | Dekar, Souad; Bendia, Sabrina; Ouari, Kamel 2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol) IUCrData, 2017, 2, x170077 |
| 1545118 | CIF HKL Paper | C25 H15 Br N2 S | P 1 21/n 1 | 9.2966; 23.0723; 9.8089 90; 109.663; 90 | 1981.26 | Kavitha, T.; Mayakrishnan, Sivakalai; Perumal, T. Paramasivam; Suvasini, Chandramouleeswaran; Lakshmi, Srinivasakannan 2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole IUCrData, 2017, 2, x170089 |
| 1545119 | CIF | C132 H242 Au34 S22 | P b c n | 26.0266; 27.9405; 28.5247 90; 90; 90 | 20743.1 | Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends. Nanoscale, 2017, 9, 3742-3746 |
| 1545120 | CIF | C156 H286 Au42 S26 | P -1 | 20.6257; 20.7452; 30.3877 78.427; 80.789; 62.667 | 11281.4 | Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends. Nanoscale, 2017, 9, 3742-3746 |
| 1545121 | CIF | Al2.4 Co0.4 O4 | F d -3 m | 7.975; 7.975; 7.975 90; 90; 90 | 507.215 | Yamaguchi, G.; Miyabe, H. Crystal structure of a defect spinel, CoO*3Al2O3, constituting cobalt blue pigment Yogyo-Kyokai-Shi, 1975, 83, 87-89 |
| 1545122 | CIF | Al2 O12 S3 | R -3 | 8.032; 8.032; 21.36 90; 90; 120 | 1193.38 | Kato, E.; Daimon, K. Crystal structure of anhydrous aluminum sulfate Yogyo-Kyokai-Shi, 1979, 87, 590-595 |
| 1545123 | CIF | O9 S Zr3 | P -3 | 6.31; 6.31; 10.25 90; 90; 120 | 353.4 | Li, C.; Daimon, K.; Murase, Y.; Kato, E. Crystal structure of anhydrous zirconium oxide sulfate Journal of the Ceramic Society of Japan, 1988, 96, 980-984 |
| 1545124 | CIF | Al2 Ba O4 | P 63 2 2 | 5.224; 5.224; 8.777 90; 90; 120 | 207.435 | Uchikawa, H.; Tsukiyama, K. Precise determination of BaAl2O4 cell and certification of the formation of iron bearing solid solution Journal of Ceramic Association of Japan, 1966, 74, 15-22 |
| 1545125 | CIF | Al18 B4 O33 | C m c 21 | 5.682; 14.973; 7.692 90; 90; 90 | 654 | Ihara, M.; Imai, K.; Fukunaga, J.; Yoshida, N. Crystal structure of boroaluminate, 9Al2O3*2B2O3 Yogyo-Kyokai-Shi, 1980, 88, 77-84 |
| 1545126 | CIF | C19 H18 O6 | P 1 21/c 1 | 11.8767; 9.3428; 16.2435 90; 113.85; 90 | 1648.49 | Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté Flavonoids from Erythrina schliebenii. Journal of natural products, 2017, 80, 377-383 |
| 1545127 | CIF | C19 H20 O6 | C 1 c 1 | 13.1824; 15.15072; 8.32489 90; 98.5002; 90 | 1644.41 | Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté Flavonoids from Erythrina schliebenii. Journal of natural products, 2017, 80, 377-383 |
| 1545128 | CIF | C21 H20 O5 | P -1 | 8.5769; 9.1101; 11.523 78.724; 76.207; 81.728 | 853.04 | Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté Flavonoids from Erythrina schliebenii. Journal of natural products, 2017, 80, 377-383 |
| 1545129 | CIF | C26 H30 O5 | P 21 21 21 | 5.18734; 20.1639; 21.6358 90; 90; 90 | 2263.04 | Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté Flavonoids from Erythrina schliebenii. Journal of natural products, 2017, 80, 377-383 |
| 1545130 | CIF | Co La2 O6 Ru | P 1 21/n 1 | 5.57558; 5.63998; 7.8878 90; 90; 90 | 248.041 | Kawano, T.; Takahashi, J.; Yamada, T.; Yamane, H. Preparation, crystal structure and high-temperature thermoelectric properties of double perovskite-type rare-earth cobalt ruthenium oxides Journal of the Ceramic Society of Japan, 2007, 115, 792-796 |
| 1545131 | CIF | Co O6 Pr2 Ru | P 1 21/n 1 | 5.48355; 5.69605; 7.7841 90; 90.01; 90 | 243.133 | Kawano, T.; Takahashi, J.; Yamada, T.; Yamane, H. Preparation, crystal structure and high-temperature thermoelectric properties of double perovskite-type rare-earth cobalt ruthenium oxides Journal of the Ceramic Society of Japan, 2007, 115, 792-796 |
| 1545132 | CIF | Co Gd2 O6 Ru | P 1 21/n 1 | 5.324; 5.74387; 7.61279 90; 90.002; 90 | 232.802 | Kawano, T.; Takahashi, J.; Yamada, T.; Yamane, H. Preparation, crystal structure and high-temperature thermoelectric properties of double perovskite-type rare-earth cobalt ruthenium oxides Journal of the Ceramic Society of Japan, 2007, 115, 792-796 |
| 1545133 | CIF | Co Eu2 O6 Ru | P 1 21/n 1 | 5.34856; 5.74709; 7.6348 90; 90.005; 90 | 234.683 | Kawano, T.; Takahashi, J.; Yamada, T.; Yamane, H. Preparation, crystal structure and high-temperature thermoelectric properties of double perovskite-type rare-earth cobalt ruthenium oxides Journal of the Ceramic Society of Japan, 2007, 115, 792-796 |
| 1545134 | CIF | Co O6 Ru Sm2 | P 1 21/n 1 | 5.37936; 5.73972; 7.67067 90; 90; 90 | 236.84 | Kawano, T.; Takahashi, J.; Yamada, T.; Yamane, H. Preparation, crystal structure and high-temperature thermoelectric properties of double perovskite-type rare-earth cobalt ruthenium oxides Journal of the Ceramic Society of Japan, 2007, 115, 792-796 |
| 1545135 | CIF | Co Nd2 O6 Ru | P 1 21/n 1 | 5.44137; 5.7186; 7.7409 90; 90.01; 90 | 240.874 | Kawano, T.; Takahashi, J.; Yamada, T.; Yamane, H. Preparation, crystal structure and high-temperature thermoelectric properties of double perovskite-type rare-earth cobalt ruthenium oxides Journal of the Ceramic Society of Japan, 2007, 115, 792-796 |
| 1545136 | CIF | C11 H6 Br F3 O3 S | P 41 21 2 | 13.9189; 13.9189; 12.9169 90; 90; 90 | 2502.47 | Li, Minghao; Petersen, Jeffrey L.; Hoover, Jessica M. Silver-Mediated Oxidative Decarboxylative Trifluoromethylthiolation of Coumarin-3-carboxylic Acids. Organic letters, 2017, 19, 638-641 |
| 1545137 | CIF | C60.5 H43 Cl F15 N4 | P -1 | 14.8431; 15.2118; 15.2461 119.302; 106.276; 96.536 | 2749.1 | Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties. Organic letters, 2017, 19, 650-653 |
| 1545138 | CIF | C59 H39 F15 N4 | P -1 | 13.8688; 15.3205; 15.3261 119.469; 93.117; 105.428 | 2665.6 | Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties. Organic letters, 2017, 19, 650-653 |
| 1545139 | CIF | C52 H24.5 Cl0.5 F15 N4 O | P -1 | 12.5205; 14.7808; 15.1296 111.361; 106.737; 99.702 | 2376.9 | Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties. Organic letters, 2017, 19, 650-653 |
| 1545140 | CIF | C28 H21 Br F N4 O4.5 | P 1 21/c 1 | 12.8025; 25.114; 15.641 90; 105.965; 90 | 4835 | Wang, Xiao; Yang, Peng; Zhang, Yong; Tang, Chao-Zhe; Tian, Fang; Peng, Lin; Wang, Li-Xin Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Abnormal [3 + 2]-Cycloaddition with Maleimide in the Presence of 1,4-Diazabicyclo[2.2.2]octane. Organic letters, 2017, 19, 646-649 |
| 1545141 | CIF | C18 H14 Br N3 O2 | P -1 | 8.2891; 10.319; 10.7253 62.243; 79.445; 71.467 | 769.05 | Wang, Xiao; Yang, Peng; Zhang, Yong; Tang, Chao-Zhe; Tian, Fang; Peng, Lin; Wang, Li-Xin Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Abnormal [3 + 2]-Cycloaddition with Maleimide in the Presence of 1,4-Diazabicyclo[2.2.2]octane. Organic letters, 2017, 19, 646-649 |
| 1545142 | CIF | C51 H39 N3 | P 1 21/c 1 | 6.5882; 19.6254; 14.7997 90; 94.733; 90 | 1907.02 | Zhang, Zhenhao; Pi, Chao; Tong, Heng; Cui, Xiuling; Wu, Yangjie Iodine-Catalyzed Direct C‒H Alkenylation of Azaheterocycle N-Oxides with Alkenes Organic Letters, 2017 |
| 1545143 | CIF | C31 H28 O2 | P 21 21 21 | 5.8387; 15.6232; 25.7309 90; 90; 90 | 2347.15 | Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage. Chemical science, 2017, 8, 3002-3006 |
| 1545144 | CIF | C26 H26 O3 | P 1 21 1 | 12.8937; 6.0514; 14.068 90; 107.517; 90 | 1046.75 | Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage. Chemical science, 2017, 8, 3002-3006 |
| 1545145 | CIF | O5 P Rb V | P 21 21 21 | 7.8669; 7.5848; 8.3771 90; 90; 90 | 499.85 | Lii, Kwang-Hwa; Liu, Wei-Chuan RbVOPO4 and CsVOPO4, two vanadyl(IV) orthophosphates with an intersecting tunnel structure and discrete VO5 pyramids Journal of Solid State Chemistry, 1993, 103, 38-44 |
| 1545146 | CIF | Cs O5 P V | P 21 21 21 | 7.3665; 7.6146; 9.8035 90; 90; 90 | 549.91 | Lii, Kwang-Hwa; Liu, Wei-Chuan RbVOPO4 and CsVOPO4, two vanadyl(IV) orthophosphates with an intersecting tunnel structure and discrete VO5 pyramids Journal of Solid State Chemistry, 1993, 103, 38-44 |
| 1545147 | CIF | C27 H37 N3 O6 | P 21 21 21 | 10.831; 14.3307; 16.615 90; 90; 90 | 2578.9 | Zhang, Dewu; Zhao, Lili; Wang, Lining; Fang, Xiaomei; Zhao, Jianyuan; Wang, Xinwei; Li, Li; Liu, Hongyu; Wei, Yuzhen; You, Xuefu; Cen, Shan; Yu, Liyan Griseofulvin Derivative and Indole Alkaloids from Penicillium griseofulvum CPCC 400528. Journal of natural products, 2017, 80, 371-376 |
| 1545148 | CIF | C44 H52 O8 | P 1 21/c 1 | 4.7766; 41.019; 12.2047 90; 94.6748; 90 | 2383.33 | Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes Macromolecules, 2017, 50, 900 |
| 1545149 | CIF | O2 Si | P 42/m n m | 4.1617; 4.1617; 2.6633 90; 90; 90 | 46.128 | Sugiyama, M.; Endo, S.; Koto, K. The crystal structure of stishovite under pressure up to 6 GPa :Sample at 3.49 GPa Mineralogical Journal, 1987, 13, 455-466 |
| 1545150 | CIF | O2 Si | P 42/m n m | 4.1501; 4.1501; 2.6575 90; 90; 90 | 45.771 | Sugiyama, M.; Endo, S.; Koto, K. The crystal structure of stishovite under pressure up to 6 GPa :Sample at 5.84 GPa Mineralogical Journal, 1987, 13, 455-466 |
| 1545151 | CIF | O2 Si | P 42/m n m | 4.1487; 4.1487; 2.6573 90; 90; 90 | 45.737 | Sugiyama, M.; Endo, S.; Koto, K. The crystal structure of stishovite under pressure up to 6 GPa :Sample at 6.09 GPa Mineralogical Journal, 1987, 13, 455-466 |
| 1545152 | CIF | C H12 Ca O9 | C 1 2/c 1 | 8.826; 8.313; 11.023 90; 110.423; 90 | 757.9 | Tateno, N.; Kyono, A. Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -20 C Journal of Mineralogical and Petrological Sciences, 2014, 109, 157-168 |
| 1545153 | CIF | Al O3 Sc | P b n m | 4.9425; 5.2343; 7.2043 90; 90; 90 | 186.38 | Yamanaka, T.; Liebermann, R.C.; Prewitt, C.T. Thermal expansion of alumnus perovskite ScAlO3 Sample: at 192 C Journal of Mineralogical and Petrological Sciences, 2000, 95, 182-192 |
| 1545154 | CIF | H0.03 Mg1.97 O4 Si | F d -3 m | 7.993; 7.993; 7.993 90; 90; 90 | 510.7 | Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M. Pressure dependence of u parameter in ringwoodite up to 7.9 GPa Sample: 6.2 GPa Journal of Mineralogical and Petrological Sciences, 2007, 102, 8-11 |
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