Crystallography Open Database

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1513339 CIFC33 H28 N2 O4P -18.441; 10.983; 13.892
90.769; 90.334; 94.472
1283.8Niu, Dawen; Hoye, Thomas R.
The aromatic ene reaction
Nature Chemistry, 2013, 6, 34
1513770 CIFC19.5 H17 Au F PC 1 2/c 123.0127; 9.31; 19.0897
90; 126.337; 90
3294.6Wolf, William J.; Winston, Matthew S.; Toste, F. Dean
Exceptionally fast carbon-carbon bond reductive elimination from gold(III).
Nature chemistry, 2014, 6, 159-164
1513771 CIFC25 H23 Au2 Cl4 N P2P 1 21/c 18.8394; 16.1038; 22.1064
90; 100.248; 90
3096.6Wolf, William J.; Winston, Matthew S.; Toste, F. Dean
Exceptionally fast carbon-carbon bond reductive elimination from gold(III).
Nature chemistry, 2014, 6, 159-164
1513772 CIFC37 H30 Au2 F2 P2C 1 2/c 116.1721; 10.6985; 18.0543
90; 98.385; 90
3090.3Wolf, William J.; Winston, Matthew S.; Toste, F. Dean
Exceptionally fast carbon-carbon bond reductive elimination from gold(III).
Nature chemistry, 2014, 6, 159-164
1513773 CIFC22 H31 Cl N2 O3 SP 1 21/n 113.442; 8.1038; 20.1572
90; 104.261; 90
2128.08McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513774 CIFC16 H27 N O2P n a 2120.4107; 8.6349; 16.7557
90; 90; 90
2953.1McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513775 CIFC16 H25 N O2P 1 21/n 19.7778; 8.0904; 18.01
90; 94.851; 90
1419.6McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513776 CIFC14 H23 N O3P -17.867; 9.1892; 10.2943
110.964; 109.591; 90.081
648.44McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513777 CIFC19 H26 N2 O3P 21 21 217.238; 11.592; 20.28
90; 90; 90
1701.6McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513778 CIFC18 H20 Br N O3P 1 21/n 19.717; 7.555; 23.041
90; 99.168; 90
1669.9McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513779 CIFC20 H26 Br N O4P 1 21/c 115.7732; 8.3002; 15.3015
90; 111.867; 90
1859.15McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513780 CIFC22 H31 Br N2 O2P 1 21/c 112.5683; 17.2; 9.5705
90; 91.062; 90
2068.55McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513781 CIFC20 H25 N O2P -18.1628; 11.2261; 18.4027
90.626; 100.074; 93.553
1656.76McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513782 CIFC20 H27 N O2P -18.5052; 15.5856; 19.9392
101.084; 100.283; 90.24
2550.12McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513783 CIFC20 H27 N3 O5 SP -19.3311; 10.7524; 10.8992
116.238; 94.799; 96.792
962.57McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513784 CIFC14 H23 N O2P 1 21/n 18.6602; 11.241; 12.9622
90; 94.253; 90
1258.39McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513785 CIFC21 H22 N2 O2P 1 2/n 18.3047; 7.7059; 25.706
90; 98.62; 90
1626.5Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki
Biogenetically inspired synthesis and skeletal diversification of indole alkaloids.
Nature chemistry, 2014, 6, 57-64
1513786 CIFC25 H24 N2 O2P 1 21/c 18.3426; 8.7981; 27.0612
90; 94.54; 90
1980.03Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki
Biogenetically inspired synthesis and skeletal diversification of indole alkaloids.
Nature chemistry, 2014, 6, 57-64
1513787 CIFC23 H23 N3 O6 SP 1 21 111.0525; 27.518; 11.4121
90; 94.477; 90
3460.3Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi
Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.
Nature chemistry, 2014, 6, 47-51
1513788 CIFC28 H25 N3 O6 SP 21 21 217.704; 12.588; 26.614
90; 90; 90
2581Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi
Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.
Nature chemistry, 2014, 6, 47-51
1513789 CIFC22 H23 N3 O8 SP 21 21 2110.901; 11.15; 18.652
90; 90; 90
2267.1Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi
Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.
Nature chemistry, 2014, 6, 47-51
1513790 CIFC17 H16 F6 N3 P RuP c a 2111.1674; 10.4372; 16.4146
90; 90; 90
1913.23Li, Le; Herzon, Seth B.
Temporal separation of catalytic activities allows anti-Markovnikov reductive functionalization of terminal alkynes.
Nature chemistry, 2014, 6, 22-27
1551373 CIFC168 H88 N26 O18R 3 :H19.3322; 19.3322; 28.9191
90; 90; 120
9360Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter
Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction
Nature Chemistry, 2014, 6, 779-784
1551374 CIFC168 H88 N26 O18R 3 :H19.3695; 19.3695; 28.9712
90; 90; 120
9413.1Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter
Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction
Nature Chemistry, 2014, 6, 779-784
1551375 CIFC168 H88 N26 O18R 3 :H19.4976; 19.4976; 29.0508
90; 90; 120
9564.3Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter
Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction
Nature Chemistry, 2014, 6, 779-784
1551376 CIFC162 H84 N24 O18P 3119.5973; 19.5973; 27.8613
90; 90; 120
9266.7Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter
Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction
Nature Chemistry, 2014, 6, 779-784
1551377 CIFC168 H88 N26 O18R 3 :H19.4393; 19.4393; 28.547
90; 90; 120
9342.3Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter
Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction
Nature Chemistry, 2014, 6, 779-784
1551400 CIFC68 H53 B Cl4 F24 N3 P S2P -114.37; 15.135; 19.376
76.883; 70.416; 65.366
3590.2Scott E. Denmark; Eduard Hartmann; David J. P. Kornfilt; Hao Wang
Mechanistic, crystallographic, and computational studies on the catalytic, enantioselective sulfenofunctionalization of alkenes
Nature Chemistry, 2014, 6, 1056-1064
1551401 CIFC66 H76 Cl12 N6 O2 P2 Sb2 Se2P -112.005; 12.2783; 14.5779
67.081; 73.258; 88.706
1885.47Scott E. Denmark; Eduard Hartmann; David J. P. Kornfilt; Hao Wang
Mechanistic, crystallographic, and computational studies on the catalytic, enantioselective sulfenofunctionalization of alkenes
Nature Chemistry, 2014, 6, 1056-1064
1551402 CIFC448 H415 B7 F6 Fe6 N40 O15 PP b a m35.1918; 47.1545; 33.4757
90; 90; 90
55551David A. Leigh; Robin G. Pritchard; Alexander J. Stephens
A Star of David catenane
Nature Chemistry, 2013, 6, 978-982
1551450 CIFC46 H30P 1 21/n 19.5942; 27.26; 12.3336
90; 103.662; 90
3134.4Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis
A transferable model for singlet-fission kinetics
Nature Chemistry, 2014, 6, 492-497
1551451 CIFC50 H30 Cl4 S2P -19.4146; 10.2146; 10.8759
86.298; 79.729; 65.456
936.1Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis
A transferable model for singlet-fission kinetics
Nature Chemistry, 2014, 6, 492-497
1551452 CIFC26 H16 S2P 1 21/c 114.8532; 17.3921; 7.2295
90; 90.676; 90
1867.5Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis
A transferable model for singlet-fission kinetics
Nature Chemistry, 2014, 6, 492-497
1551479 CIFC44 H14 F12P -114.2786; 20.4647; 20.6937
60.5; 72.537; 85.477
5003Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King
A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization
Nature Chemistry, 2014, 6, 774-778
1551480 CIFC88 H28 F24P -114.115; 19.247; 19.52
64.137; 72.069; 84.957
4533Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King
A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization
Nature Chemistry, 2014, 6, 774-778
1551481 CIFC88 H28 F24P -114.237; 17.662; 18.188
70.106; 75.162; 84.727
4157.1Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King
A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization
Nature Chemistry, 2014, 6, 774-778
1551482 CIFC44 H14 F12P -19.014; 14.577; 15.651
94.34; 93.101; 96.984
2031.2Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King
A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization
Nature Chemistry, 2014, 6, 774-778
1551488 CIFC57 H33 F10 N6 O3P 1 2/c 119.934; 10.691; 29.55
90; 101.58; 90
6169Jackson D. Megiatto Jr; Dalvin D. Mendez-Hernandez; Marely E. Tejeda-Ferrari; Anne-Lucie Teillout; Manuel J. Llansola-Portoles; Gerdenis Kodis; Oleg G. Poluektov; Tijana Rajh; Vladimiro Mujica; Thomas L. Groy; Devens Gust; Thomas A. Moore; Ana L. Moore
A bioinspired redox relay that mimics radical interactions of the Tyr-His pairs of photosystem II
Nature Chemistry, 2014, 6, 423-428
1551490 CIFC32 H28 O2P 1 21/c 117.444; 10.8686; 12.1775
90; 92.014; 90
2307.3Paul J. Evans; Evan R. Darzi; Ramesh Jasti
Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene
Nature Chemistry, 2014, 6, 404-408
1551491 CIFC30 H20P b c a9.8337; 11.6263; 35.5613
90; 90; 90
4065.71Paul J. Evans; Evan R. Darzi; Ramesh Jasti
Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene
Nature Chemistry, 2014, 6, 404-408
1551506 CIFC8 H24 N6 O4 ZnP -19.0184; 13.0497; 13.4511
70.619; 71.953; 71.335
1377.6Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato
Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex
Nature Chemistry, 2014, 6, 1079-1083
1551507 CIFC8 H24 N6 O4 ZnP -3 1 c8.9542; 8.9542; 10.433
90; 90; 120
724.4Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato
Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex
Nature Chemistry, 2014, 6, 1079-1083
1551508 CIFC8 H23.5 N6 Ni O4P 1 21/n 19.257; 14.963; 9.967
90; 94.028; 90
1377.1Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato
Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex
Nature Chemistry, 2014, 6, 1079-1083
1551509 CIFC8 H24 N6 Ni O4P -3 1 c8.866; 8.866; 10.486
90; 90; 120
713.8Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato
Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex
Nature Chemistry, 2014, 6, 1079-1083
1551510 CIFC8 H24 N6 Ni O4P 1 21/n 19.272; 14.975; 9.964
90; 93.966; 90
1380.2Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato
Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex
Nature Chemistry, 2014, 6, 1079-1083
1551511 CIFC8 H24 N6 Ni O4P -3 1 c8.875; 8.875; 10.488
90; 90; 120
715.4Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato
Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex
Nature Chemistry, 2014, 6, 1079-1083
1551512 CIFC8 H12 D12 N6 Ni O4P 1 21/n 19.283; 14.938; 9.972
90; 93.88; 90
1380Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato
Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex
Nature Chemistry, 2014, 6, 1079-1083
1551513 CIFC8 H12 D12 N6 Ni O4P -3 1 c8.882; 8.882; 10.504
90; 90; 120
717.6Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato
Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex
Nature Chemistry, 2014, 6, 1079-1083
1551836 CIFC39 H47 Cl Cs N7 O2P 1 21 110.778; 16.187; 10.773
90; 103.801; 90
1825.2Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin
Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells
Nature Chemistry, 2014, 6, 885-892
1551837 CIFC85 H122 Cl2 N15 Na O9P -110.6334; 20.29; 21.869
66.724; 81.164; 88.956
4278.1Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin
Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells
Nature Chemistry, 2014, 6, 885-892

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