Crystallography Open Database

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1559749 CIFC50 H46 Mn2 N30P -111.495; 11.697; 11.753
72.463; 82.359; 71.422
1427.1Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.
Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.
Chemical science, 2020, 12, 2268-2275
1559750 CIFC36 H30 Cu2 N26P 1 21/n 19.332; 13.337; 15.845
90; 97.844; 90
1953.6Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.
Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.
Chemical science, 2020, 12, 2268-2275
1559751 CIFC3 H2 N10P 1 21/n 18.018; 4.669; 18.877
90; 101.238; 90
693.1Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.
Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.
Chemical science, 2020, 12, 2268-2275
1559752 CIFC36 H30 N26 Zn2P 1 21/n 19.58; 13.076; 15.904
90; 97.636; 90
1974.6Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.
Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.
Chemical science, 2020, 12, 2268-2275
1559753 CIFC46 H49 Fe2 N27 O2P -111.034; 13.414; 18.758
91.221; 106.188; 99.178
2625.8Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.
Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.
Chemical science, 2020, 12, 2268-2275
1559754 CIFC44 H46 N26 Ni2 O2P 1 21/c 111.927; 20.144; 10.56
90; 98.269; 90
2510.7Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.
Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.
Chemical science, 2020, 12, 2268-2275
1559758 CIFC14 H19 N3 O2P 1 21/c 18.1323; 8.1695; 19.3253
90; 90.803; 90
1283.79Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan
Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.
Chemical science, 2020, 12, 2091-2096
1559759 CIFC13 H17 N3 O3P 1 21/c 18.0314; 8.1488; 19.2027
90; 90.5479; 90
1256.69Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan
Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.
Chemical science, 2020, 12, 2091-2096
1559760 CIFC13 H15 N3 O2P b c a13.4226; 7.6316; 22.4832
90; 90; 90
2303.09Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan
Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.
Chemical science, 2020, 12, 2091-2096
1559761 CIFC18 H26 N3 O2.5P -17.6118; 9.3656; 12.1634
93.7306; 95.39; 108.127
816.35Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan
Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.
Chemical science, 2020, 12, 2091-2096
1559762 CIFC15 H21 N3 O2P -17.1405; 8.577; 11.9704
73.957; 88.399; 78.976
691.32Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan
Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.
Chemical science, 2020, 12, 2091-2096
1559763 CIFC17 H21 N3 OP -17.0488; 8.6329; 12.6463
88.989; 74.751; 77.777
725.03Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan
Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.
Chemical science, 2020, 12, 2091-2096
1559764 CIFC16 H19 N3 OP -16.9675; 8.6877; 12.0676
87.02; 74.121; 77.399
685.7Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan
Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.
Chemical science, 2020, 12, 2091-2096
1559765 CIFC15 H19 N3 OP 3122.0392; 22.0392; 7.1184
90; 90; 120
2994.36Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan
Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.
Chemical science, 2020, 12, 2091-2096
1559766 CIFC15 H18 N2 O2P 1 21/n 19.6859; 8.2156; 16.9618
90; 106.12; 90
1296.67Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan
Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.
Chemical science, 2020, 12, 2091-2096
1559767 CIFC18 H26 N6 O4P 21 21 218.3617; 13.8207; 16.0698
90; 90; 90
1857.1Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan
Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.
Chemical science, 2020, 12, 2091-2096
1559768 CIFC54 H38 F8 N4P 1 21 114.0179; 13.6325; 22.7651
90; 107.536; 90
4148.2Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559769 CIFC54 H38 F8 N4C 1 c 113.9524; 14.0942; 22.7794
90; 106.433; 90
4296.5Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559770 CIFC54 H38 F8 N4P 1 21/n 16.824; 14.6816; 21.469
90; 95.4; 90
2141.4Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559771 CIFC54 H38 F8 N4P 1 21 114.0444; 13.7744; 22.8418
90; 107.59; 90
4212.2Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559772 CIFC54 H38 F8 N4P 1 2/c 119.158; 6.7794; 17.4666
90; 109.362; 90
2140.25Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559773 CIFC54 H38 F8 N4P 1 21/n 16.6696; 14.9431; 21.3309
90; 95.362; 90
2116.63Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559774 CIFC54 H38 F8 N4P 1 21/n 16.7928; 14.5649; 21.3902
90; 95.7754; 90
2105.5Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559775 CIFC54 H38 F8 N4P 1 21/n 16.6763; 15.0587; 21.4299
90; 94.94; 90
2146.5Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559776 CIFC54 H37 F8 N4P 1 21/n 16.657; 14.852; 21.2537
90; 95.721; 90
2090.88Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559777 CIFC54 H38 F8 N4P 1 c 119.0865; 6.767; 17.3518
90; 109.354; 90
2114.48Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559778 CIFC54 H38 F8 N4P 1 21/n 16.6803; 15.0128; 21.3972
90; 95.143; 90
2137.29Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559779 CIFC54 H38 F8 N4P 1 21/n 16.7657; 14.4934; 21.3307
90; 96.1667; 90
2079.54Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559780 CIFC30 H29 N3P 1 21/c 19.148; 22.6374; 11.7158
90; 105.813; 90
2334.37Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559781 CIFC54 H38 F8 N4P 1 2/c 119.1368; 6.7789; 17.4066
90; 109.373; 90
2130.24Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559782 CIFC54 H37 F8 N4P 1 21/n 16.6613; 14.8875; 21.2797
90; 95.554; 90
2100.4Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559783 CIFC54 H38 F8 N4P 1 2/c 119.2225; 6.7835; 17.5663
90; 109.337; 90
2161.35Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559784 CIFC54 H38 F8 N4P 1 2/c 119.2767; 6.7799; 17.6615
90; 109.29; 90
2178.67Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559785 CIFC54 H38 F8 N4P 1 21 114.0331; 13.6998; 22.8049
90; 107.555; 90
4180.1Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.
Chemical science, 2020, 12, 2181-2188
1559786 CIFC42 H525 Ce4 Mo126 N21 Na4 O623P -132.5994; 32.7694; 35.206
104.753; 98.873; 104.933
34154She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy
Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.
Chemical science, 2020, 12, 2427-2432
1559787 CIFC36 H521 Ce4 Mo124 N16 Na3 O616P 21 21 234.8531; 45.172; 20.9243
90; 90; 90
32943She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy
Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.
Chemical science, 2020, 12, 2427-2432
1559788 CIFC36 H531 Ce4 Mo124 N16 Na3 O617P 21 21 234.884; 45.668; 20.929
90; 90; 90
33342She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy
Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.
Chemical science, 2020, 12, 2427-2432
1559789 CIFC48 H535 Ce4 Mo126 N24 Na3 O626P -132.444; 32.749; 35.233
104.665; 98.814; 104.742
34063She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy
Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.
Chemical science, 2020, 12, 2427-2432
1559790 CIFC40 H516 Ce4 Mo124 N20 Na2 O610P 21 21 234.6572; 45.43; 20.9741
90; 90; 90
33023She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy
Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.
Chemical science, 2020, 12, 2427-2432
1559791 CIFC40 H535 Ce5 Mo122 N20 Na2 O616P 21 21 2138.1062; 38.2685; 46.9136
90; 90; 90
68413She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy
Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.
Chemical science, 2020, 12, 2427-2432
1559792 CIFB6.001 H14.002 N2F m -3 m9.10295; 9.10295; 9.10295
90; 90; 90
754.304Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon
Accurate crystal structures and chemical properties from NoSpherA2.
Chemical science, 2020, 12, 1675-1692
1559793 CIFCa F2F m -3 m5.45095; 5.45095; 5.45095
90; 90; 90
161.963Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon
Accurate crystal structures and chemical properties from NoSpherA2.
Chemical science, 2020, 12, 1675-1692
1559794 CIFC3 H7 N O2P 21 21 215.9279; 12.2597; 5.7939
90; 90; 90
421.07Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon
Accurate crystal structures and chemical properties from NoSpherA2.
Chemical science, 2020, 12, 1675-1692
1559795 CIFC6.286 H6 O2.57R -3 :H16.2023; 16.2023; 5.6943
90; 90; 120
1294.57Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon
Accurate crystal structures and chemical properties from NoSpherA2.
Chemical science, 2020, 12, 1675-1692
1559796 CIFC5 H10 N2 O3P 21 21 217.4583; 9.4892; 9.7301
90; 90; 90
688.63Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon
Accurate crystal structures and chemical properties from NoSpherA2.
Chemical science, 2020, 12, 1675-1692
1559797 CIFC10 H10 F2 N4P 1 21/n 16.9196; 14.5749; 9.7248
90; 90.637; 90
980.71Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon
Accurate crystal structures and chemical properties from NoSpherA2.
Chemical science, 2020, 12, 1675-1692
1559798 CIFC24 H44 Os P2P 1 21/n 110.8918; 13.7619; 17.0714
90; 98.563; 90
2530.34Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon
Accurate crystal structures and chemical properties from NoSpherA2.
Chemical science, 2020, 12, 1675-1692
1559814 CIFC28 H29 N O4P 1 21 16.1281; 27.1638; 28.2117
90; 91.472; 90
4694.6Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe
A Giese reaction for electron-rich alkenes.
Chemical science, 2020, 12, 2225-2230
1559815 CIFC29 H46 O4 SiP 16.44725; 10.18619; 22.76512
101.785; 91.4615; 98.5773
1444.75Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe
A Giese reaction for electron-rich alkenes.
Chemical science, 2020, 12, 2225-2230
1559816 CIFC25 H36 O4P 1 21 16.1518; 60.5855; 6.15597
90; 106.532; 90
2199.54Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe
A Giese reaction for electron-rich alkenes.
Chemical science, 2020, 12, 2225-2230

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