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Information card for entry 8100013
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 8100013.cif |
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Common name | (1aSR,5bRS,7aSR,10aRS,10bSR,10cRS)-1a,5b,6,7,7a,8,9,10,10b,10c- Decahydro-10aH-cyclopenta[1,2]phenanthro[9,10-b]oxiren-10a-ol |
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Formula | C34 H40 O4 |
Calculated formula | C34 H40 O4 |
SMILES | O1[C@H]2c3ccccc3[C@@H]3CC[C@@H]4CCC[C@@]4([C@@H]3[C@@H]12)O.O1[C@@H]2c3ccccc3[C@H]3CC[C@H]4CCC[C@]4([C@H]3[C@H]12)O |
Title of publication | Crystal structure of (1a SR,5b RS,7a SR,10a RS,10b SR,10c RS)-1a,5b, 6,7,7a,8,9,10,10b,10c-decahydro-10a H-cyclopenta[1,2]- phenanthro [9,10-b]oxiren-10a-ol, C~17~H~20~O~2~ |
Authors of publication | Berndt, M.; Brüdgam, I.; Hartl, H.; Reißig, H.-U. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2004 |
Journal volume | 219 |
Journal issue | 1 |
Pages of publication | 49 - 50 |
a | 6.6176 ± 0.0011 Å |
b | 27.538 ± 0.005 Å |
c | 14.951 ± 0.003 Å |
α | 90° |
β | 98.768 ± 0.004° |
γ | 90° |
Cell volume | 2692.7 ± 0.8 Å3 |
Cell temperature | 153 K |
Ambient diffraction temperature | 153 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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