Information card for entry 8100013

Structure parameters

• 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
• 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 ų
• 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